data_2yry_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 2yry _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 15' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.739 0.304 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.434 ' HG3' ' CG1' ' A' ' 47' ' ' VAL . 59.8 ttt180 -66.79 108.55 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -50.31 144.64 11.37 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -25.17 28.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -112.32 38.06 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.434 ' HB1' ' CG1' ' A' ' 47' ' ' VAL . . . -111.75 126.07 29.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.566 0.698 . . . . 0.0 111.108 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 131.26 20.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.463 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 7.1 p -65.68 117.15 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.457 ' CG2' HD23 ' A' ' 46' ' ' LEU . 18.9 m -67.21 -60.58 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.548 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 39.7 tttp -153.22 138.46 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.65 143.79 49.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.46 146.05 6.9 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.4 m95 -70.72 117.78 12.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.8 0.333 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 111' ' ' TRP . 20.5 mt -123.94 168.75 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -108.9 114.23 27.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -94.06 119.18 32.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.93 147.52 33.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.794 0.33 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -113.18 146.28 39.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -125.6 103.81 8.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -64.83 125.86 26.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -142.98 168.76 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.59 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 45.1 t-105 -88.55 117.74 27.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -100.81 139.77 36.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 65.2 t -141.18 129.14 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 23' ' ' THR . 19.4 tp -103.79 113.53 27.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 32.4 t -140.99 138.1 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 58.1 54.11 6.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 45.64 29.07 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.1 m -136.42 155.01 50.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 tt -100.91 138.31 38.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -140.07 119.72 13.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -107.82 129.93 55.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -113.23 153.86 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -54.76 -32.26 59.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -153.82 176.66 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.52 -12.94 36.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -60.16 -35.4 75.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 58.81 44.34 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.53 -58.71 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -149.29 142.93 25.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.81 118.97 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.6 mt -79.89 -44.1 21.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.37 137.17 5.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.0 m -116.3 144.96 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.564 HD13 ' CE1' ' A' ' 98' ' ' TYR . 17.3 mt -139.49 121.17 9.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.57 4.62 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.8 mt -90.18 -24.82 20.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.46 -11.79 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.1 m -121.5 40.06 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -145.68 167.01 24.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -126.6 79.0 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.3 t -52.08 145.17 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.65 138.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.059 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.08 135.61 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.3 m -48.13 148.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -66.25 157.61 80.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 0.28 5.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.2 p -126.93 16.72 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -61.48 175.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -109.52 36.4 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.7 mm -110.67 119.23 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -62.83 -48.68 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -65.2 145.72 55.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -93.38 176.11 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.411 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 9.3 m-70 54.61 53.6 10.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.461 HG21 ' N ' ' A' ' 88' ' ' PHE . 88.6 m -109.93 156.35 20.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -143.88 134.91 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.512 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -125.69 148.09 49.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.3 134.82 54.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -128.11 142.91 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 92' ' ' HIS . 7.7 t-80 -108.34 -2.16 19.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 52.44 47.32 24.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -177.94 -40.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 79.4 t -100.34 -65.81 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 111.16 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -172.14 -178.42 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.9 m -127.76 109.83 12.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.564 ' CE1' HD13 ' A' ' 66' ' ' ILE . 39.6 m-85 -82.75 162.62 21.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 12.7 m-85 -136.22 151.76 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 42.9 m-85 -155.92 117.08 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 t -92.91 157.96 16.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.14 138.21 46.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.23 -50.61 73.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -113.07 154.04 45.18 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.677 0.751 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.1 Cg_endo -69.77 -17.51 37.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -74.17 -37.79 63.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -71.16 -45.56 63.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -54.23 -58.9 5.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.4 pt-20 -53.82 -48.82 69.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.34 -44.53 80.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.548 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 32.5 m95 -60.0 -46.06 90.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.5 mt -58.35 -33.86 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -58.43 -44.02 88.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.81 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.402 ' HE1' ' CE3' ' A' ' 111' ' ' TRP . 5.8 mtt -63.23 -57.42 10.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -48.19 -49.92 23.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.53 -56.85 7.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.93 -24.68 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.28 -49.51 27.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 mttt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.332 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 24.5 ttt180 -87.63 134.84 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -91.08 142.22 27.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -39.02 7.0 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -60.97 -41.31 96.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.45 132.3 53.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.582 0.706 . . . . 0.0 111.073 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 132.32 22.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.467 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 7.5 p -67.94 116.16 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.44 HG22 ' CD2' ' A' ' 46' ' ' LEU . 26.7 m -64.6 -56.95 10.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.562 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 21.5 tttp -152.03 136.18 16.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.15 137.39 51.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.053 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.5 149.53 9.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.523 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 69.9 m95 -72.38 108.55 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.1 mt -111.81 173.41 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 4.3 m-85 -120.85 131.4 54.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -109.0 118.67 37.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.452 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 8.6 tt0 -48.94 148.75 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.452 ' CZ2' ' HG3' ' A' ' 31' ' ' GLN . 69.1 m95 -137.24 113.65 10.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -86.04 127.13 34.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 11.3 tttp -88.6 125.74 34.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -142.92 158.64 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 53.2 t-105 -75.5 116.36 16.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.413 ' CD2' HD23 ' A' ' 51' ' ' LEU . 3.6 m-85 -100.58 137.15 39.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.42 129.6 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.44 ' CD2' HG22 ' A' ' 23' ' ' THR . 23.5 tp -103.39 113.66 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 23.4 t -141.21 132.49 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 t70 60.34 54.77 3.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 46.07 25.57 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.1 m -129.68 156.11 44.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 3.3 tt -106.33 130.82 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 42.3 m-85 -133.5 119.34 19.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 48.0 p90 -107.3 125.12 50.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.978 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.475 ' CE2' HG12 ' A' ' 62' ' ' ILE . 76.8 m-85 -108.29 143.0 37.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -43.91 -34.01 1.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -143.2 -175.41 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -83.37 41.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -101.11 -31.33 11.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.464 ' HA ' ' CG ' ' A' ' 54' ' ' TYR . 41.2 mt-10 54.5 51.06 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -115.32 -61.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -105.56 115.95 31.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.475 HG12 ' CE2' ' A' ' 54' ' ' TYR . 32.7 mt -78.94 121.89 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.559 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 38.6 mt -81.6 -39.4 24.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.418 ' HA3' ' CE1' ' A' ' 53' ' ' TYR . . . -155.4 139.44 6.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -121.95 143.54 49.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.8 mt -140.11 120.4 9.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 96.81 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 51' ' ' LEU . 84.5 mt -67.8 -31.41 71.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 tp -50.89 -16.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.576 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 4.5 m -117.29 37.86 3.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -142.13 174.71 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -133.07 90.77 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.4 t -68.42 139.35 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.07 139.02 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.08 141.68 49.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 87' ' ' THR . 6.1 m -57.41 -176.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.423 ' CD ' ' HD2' ' A' ' 78' ' ' PRO . 2.1 mm100 -110.62 161.99 22.45 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 77' ' ' GLN . 53.7 Cg_endo -69.77 -4.84 14.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.1 t -133.11 31.96 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -89.94 167.95 12.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -84.83 52.99 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.4 mm -133.61 103.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 t -45.12 -46.61 11.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.7 mtt85 -61.97 175.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -113.0 -62.14 1.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.418 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 10.1 m-70 -74.3 71.91 1.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.431 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 16.7 m -128.53 146.75 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 3.8 p90 -138.03 139.23 39.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -122.58 145.81 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -104.18 128.23 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -119.0 131.54 56.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 70' ' ' SER . 10.9 t-160 -100.58 -15.41 17.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 59.3 41.06 20.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -164.54 -33.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.8 t -117.72 -65.47 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.43 ' N ' ' CD ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -168.37 -179.9 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.4 m -126.58 112.99 16.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -85.23 153.0 22.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 18.7 m-85 -121.0 145.51 47.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 39.2 m-85 -147.43 118.61 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -91.92 165.63 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.799 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -139.58 131.95 28.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -50.2 -52.9 31.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 m -116.59 159.33 40.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.695 0.759 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.418 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.7 Cg_endo -69.76 -26.49 27.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.59 -34.31 77.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -77.44 -39.85 45.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -56.42 -53.06 61.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.5 pt-20 -62.04 -48.63 79.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.493 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.28 -45.08 80.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.562 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 33.1 m95 -59.72 -44.65 93.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.25 -43.54 90.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -50.75 -44.22 58.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.65 -57.04 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.404 ' HE3' ' CE3' ' A' ' 111' ' ' TRP . 7.1 mtt -56.69 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -37.94 -53.69 1.99 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -65.13 -53.73 40.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.76 -13.46 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.6 -38.35 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.813 0.339 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HD2' ' CD2' ' A' ' 52' ' ' PHE . 21.1 ttt-85 -116.97 145.23 43.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -108.74 142.7 26.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.941 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -38.18 8.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.58 -39.86 92.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.82 133.7 28.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.692 . . . . 0.0 111.089 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 130.92 20.18 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.466 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 99.2 t -66.93 116.27 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.449 HG23 ' CD2' ' A' ' 46' ' ' LEU . 24.9 m -64.84 -63.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.554 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 32.0 tttp -155.25 133.54 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB3' ' CZ2' ' A' ' 43' ' ' TRP . . . -131.14 140.54 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.071 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.9 152.57 14.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.502 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 91.6 m95 -72.58 111.87 8.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -118.48 172.82 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -115.35 114.7 25.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -99.12 108.66 21.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.457 ' HG3' ' CE2' ' A' ' 39' ' ' TRP . 3.7 tt0 -56.99 130.42 45.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.806 0.336 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.457 ' CE2' ' HG3' ' A' ' 31' ' ' GLN . 63.1 m95 -101.36 133.93 45.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -108.64 107.08 17.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 53.3 tttt -72.31 119.93 17.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.0 mmt-85 -140.87 159.38 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 38.6 t-105 -74.27 116.89 15.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -101.68 137.99 39.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.3 t -139.46 129.11 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' ' 23' ' ' THR . 18.9 tp -103.72 114.06 28.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 20.5 t -140.94 132.42 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t70 63.17 53.2 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 46.83 29.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.6 t -136.03 152.85 51.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 tt -99.34 137.81 37.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.564 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 38.1 m-85 -138.93 119.21 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 19.8 p90 -107.14 124.33 49.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.539 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 79.0 m-85 -104.29 160.9 14.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 pttt -58.2 -38.86 77.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -150.36 178.62 8.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -61.19 -14.17 23.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -65.18 -29.59 70.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.539 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 27.8 mt-10 52.49 46.6 26.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.04 -53.94 48.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -150.41 137.59 19.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.4 mt -64.94 116.14 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 78.2 mt -72.99 -39.64 65.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.47 142.74 8.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -114.72 151.81 33.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.431 HD12 ' CE2' ' A' ' 98' ' ' TYR . 71.8 mt -145.62 117.0 5.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 123.29 9.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.401 ' C ' ' HA ' ' A' ' 119' ' ' ALA . 64.6 mt -96.12 -23.79 16.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.73 -14.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -104.17 -26.14 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 92' ' ' HIS . 17.9 m-85 -86.27 168.45 13.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 73' ' ' VAL . 13.0 ptt180 -130.24 70.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' ARG . 95.3 t -36.56 149.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.02 127.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.03 146.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.9 m -57.87 167.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -102.0 157.9 32.81 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.68 3.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 m -127.3 25.2 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -97.88 161.27 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -86.26 38.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.9 mm -112.28 84.84 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 t -49.82 -44.61 49.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -50.86 154.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.419 ' HD3' ' NE2' ' A' ' 86' ' ' HIS . 3.7 ptpt -103.91 163.74 12.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.419 ' NE2' ' HD3' ' A' ' 85' ' ' LYS . 3.9 m-70 52.57 50.93 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.464 HG21 ' N ' ' A' ' 88' ' ' PHE . 51.6 m -115.07 148.92 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -139.63 138.88 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -119.02 146.96 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -109.89 120.61 43.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -107.47 138.26 44.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.524 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 6.6 t-160 -134.55 78.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -33.4 93.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 152.62 -31.61 0.84 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.28 -75.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.109 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -171.83 -174.98 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.9 m -122.08 107.85 12.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.431 ' CE2' HD12 ' A' ' 66' ' ' ILE . 31.3 m-85 -79.93 154.81 28.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 24.7 m-85 -124.06 145.42 49.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -147.74 117.9 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 t -96.88 162.77 13.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -136.14 133.37 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.83 -50.2 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 m -118.7 158.27 47.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.6 Cg_endo -69.74 -17.72 37.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -71.57 -35.91 70.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.81 -47.12 22.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -51.26 -63.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.6 pt-20 -53.45 -49.66 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.514 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -57.31 -36.26 70.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.554 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 31.0 m95 -67.5 -48.15 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.0 mt -55.8 -38.84 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -53.09 -46.74 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.98 -55.01 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 4.2 mtt -58.41 -62.5 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -39.74 -50.69 3.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.28 -56.9 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.4 -24.72 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.401 ' HA ' ' C ' ' A' ' 68' ' ' LEU . . . -83.07 -41.45 18.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.746 0.308 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 10.7 ttt180 -101.84 116.16 32.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -67.18 141.89 96.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.651 0.739 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.54 5.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -60.51 -40.77 92.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.17 129.02 40.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.543 0.687 . . . . 0.0 111.148 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.16 20.67 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.722 2.282 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.466 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 7.6 p -69.15 114.07 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 m -59.86 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.561 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 9.1 tttm -146.24 145.24 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.486 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . . . -133.75 138.55 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.75 141.98 5.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.552 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 62.5 m95 -71.45 107.73 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.0 mt -113.93 178.63 4.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 41' ' ' LYS . 19.6 m-85 -120.29 136.73 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -113.8 121.6 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.68 139.2 56.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.664 ' CD1' ' CZ ' ' A' ' 84' ' ' ARG . 88.8 m95 -143.61 105.01 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -95.17 106.26 18.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 35.6 tttt -59.76 123.76 17.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -145.06 154.12 42.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CE3' ' CD1' ' A' ' 27' ' ' TRP . 49.0 t-105 -72.77 121.13 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -103.83 146.05 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -147.74 128.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.1 tp -103.31 113.18 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 36.9 t -141.36 133.69 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.428 ' N ' HG11 ' A' ' 47' ' ' VAL . 10.7 t70 57.61 54.96 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 45.7 27.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.8 m -132.83 149.02 52.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 3.8 tt -101.4 129.24 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.516 ' CD2' ' HB2' ' A' ' 16' ' ' ARG . 30.1 m-85 -130.93 119.56 22.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 40.2 p90 -106.66 125.76 51.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.461 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 96.5 m-85 -110.72 147.08 35.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -54.36 -29.21 47.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 4.0 p30 -146.53 167.26 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.23 -13.05 46.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -59.02 -36.85 75.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 60.88 51.83 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.81 -49.9 13.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -145.87 137.91 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.461 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 61.2 mt -72.19 118.77 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 65.3 mt -72.9 -44.13 61.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.5 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -155.03 124.96 1.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.2 p -99.24 140.04 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.7 mt -138.51 118.09 9.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.647 0.737 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 126.01 12.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 51' ' ' LEU . 80.2 mt -101.41 -23.43 14.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.974 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.06 -12.19 1.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 19.9 m -119.88 34.06 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -137.85 175.11 9.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' GLU . 60.1 ttm-85 -134.91 84.97 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.51 143.68 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.29 135.43 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.28 137.5 57.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.9 m -46.54 153.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -87.1 157.9 53.39 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 2.14 3.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.2 p -109.22 -16.88 13.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -53.45 169.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -113.64 33.66 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mm -88.92 103.65 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.6 m -40.73 -39.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.664 ' CZ ' ' CD1' ' A' ' 39' ' ' TRP . 27.5 mtt85 -62.82 178.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -119.17 -64.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.409 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.6 m-70 -77.19 81.08 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.493 ' O ' ' NE2' ' A' ' 108' ' ' GLN . 52.1 m -130.79 157.56 42.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 4.1 p90 -144.84 131.21 19.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.554 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 16.9 pttt -112.8 137.04 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -104.99 122.21 45.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 72' ' ' ARG . 3.0 pt-20 -118.72 151.3 38.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 70' ' ' SER . 13.7 t-80 -120.98 1.48 10.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 45.35 47.42 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.2 -30.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.1 t -108.88 -70.3 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.527 ' CG ' ' N ' ' A' ' 97' ' ' THR . 15.3 ttm180 -172.44 165.2 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.527 ' N ' ' CG ' ' A' ' 96' ' ' ARG . 28.3 m -116.17 106.31 13.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -86.94 163.86 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 34.2 m-85 -127.59 153.39 46.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 78.2 m-85 -155.46 122.63 5.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 t -98.51 159.68 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.54 121.04 21.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -39.88 -50.43 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -115.91 157.08 45.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.659 0.742 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.79 -19.87 35.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.367 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -75.04 -33.29 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.49 -48.75 38.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 87' ' ' THR . 15.7 tt0 -51.79 -58.39 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.522 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.2 pt-20 -55.87 -49.86 72.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.522 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.0 -43.88 73.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.57 ' CE3' ' HE1' ' A' ' 115' ' ' MET . 39.4 m95 -61.18 -58.23 9.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 116' ' ' GLY . 85.4 mt -41.54 -38.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -56.09 -44.89 79.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.0 -47.02 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.57 ' HE1' ' CE3' ' A' ' 111' ' ' TRP . 8.9 mtt -68.9 -63.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -42.93 -44.57 5.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -73.24 -61.89 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.14 -29.86 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 120' ' ' ARG . . . -66.25 -45.17 81.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' ALA . 17.9 mtp85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.777 0.322 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -89.67 140.39 29.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -79.34 151.05 74.76 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.719 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -39.69 6.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -97.55 41.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.15 122.99 38.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.56 0.695 . . . . 0.0 111.09 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 131.3 20.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.457 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 7.5 p -67.88 114.57 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -64.37 -56.33 15.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.531 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 40.4 tttp -155.25 132.33 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.11 143.77 50.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.09 140.65 3.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.454 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 72.3 m95 -71.18 112.4 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 mt -117.96 173.94 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -109.6 127.54 54.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -103.29 109.12 20.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.493 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 7.2 tt0 -55.06 140.0 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.813 0.339 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.493 ' CZ2' ' HG3' ' A' ' 31' ' ' GLN . 80.9 m95 -117.77 126.48 52.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -99.79 115.88 30.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -81.03 117.25 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -138.75 162.25 35.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.454 ' CE3' ' CD1' ' A' ' 27' ' ' TRP . 47.5 t-105 -75.32 115.82 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -102.1 134.15 45.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.412 ' CG2' ' NE1' ' A' ' 43' ' ' TRP . 37.9 t -138.57 131.04 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.7 tp -103.37 113.33 26.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 48' ' ' ASP . 76.4 t -140.4 135.86 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.476 ' N ' HG13 ' A' ' 47' ' ' VAL . 6.3 t70 60.2 53.32 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 45.35 31.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.5 m -138.4 155.19 48.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 52' ' ' PHE . 3.7 tt -100.68 131.3 46.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' N ' HD21 ' A' ' 51' ' ' LEU . 24.8 m-85 -131.43 119.39 21.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 42.2 p90 -105.98 123.08 47.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -109.77 164.47 12.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -63.37 -35.2 79.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -153.95 -177.68 6.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.47 -17.42 63.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -58.58 -38.54 78.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 57.01 49.68 13.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -65.89 -44.89 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 m -155.16 146.25 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 61.4 mt -73.08 115.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 18.4 mt -72.5 -35.59 68.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.422 ' HA3' ' CE1' ' A' ' 53' ' ' TYR . . . -166.21 129.99 2.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.42 ' C ' HG13 ' A' ' 66' ' ' ILE . 77.3 p -103.57 150.37 24.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.833 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.501 HD11 ' CE2' ' A' ' 98' ' ' TYR . 68.1 mt -147.46 115.36 4.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.12 4.9 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 mt -86.27 -27.71 24.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 tp -50.52 -16.93 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.411 ' HB2' ' NE2' ' A' ' 92' ' ' HIS . 15.5 p -104.7 -23.5 13.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.425 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 18.0 m-85 -87.58 163.44 16.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.449 ' NH1' ' OE2' ' A' ' 91' ' ' GLU . 3.1 ptm180 -128.39 70.82 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.3 t -40.02 145.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.99 130.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.73 167.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -88.36 -175.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -125.28 154.87 72.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.41 5.65 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.4 m -106.18 -2.58 22.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.79 165.64 14.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -88.18 48.47 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.8 mm -94.57 129.49 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.3 m -80.3 -37.7 32.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -84.17 153.69 23.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -81.28 -63.72 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 4.4 m-70 -78.94 84.81 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' A' ' 88' ' ' PHE . 23.8 m -130.17 159.2 37.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.484 ' N ' ' CG2' ' A' ' 87' ' ' THR . 2.7 p90 -153.32 132.82 12.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.526 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.34 146.41 43.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -110.91 139.39 46.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.449 ' OE2' ' NH1' ' A' ' 72' ' ' ARG . 8.8 pm0 -131.76 156.89 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.594 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 23.6 t-160 -116.92 -0.26 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.806 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 54.6 49.18 18.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.65 -41.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 68.5 t -91.93 -74.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.569 ' HD2' ' CE2' ' A' ' 98' ' ' TYR . 17.8 ptp180 -165.64 -177.51 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.2 m -130.16 109.19 10.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.569 ' CE2' ' HD2' ' A' ' 96' ' ' ARG . 26.5 m-85 -85.17 153.94 22.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.562 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 34.1 m-85 -120.47 150.31 41.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 36.9 m-85 -154.2 116.42 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.1 t -104.17 157.73 16.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.44 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.45 -42.44 83.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.1 m -118.77 152.92 52.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.72 0.771 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.76 -21.35 33.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -72.4 -16.92 61.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -92.39 -50.71 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -50.54 -54.09 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.1 pt-20 -58.99 -50.16 75.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.521 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -58.21 -35.1 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.531 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.5 m95 -70.87 -42.16 70.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 116' ' ' GLY . 92.3 mt -61.4 -40.37 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -53.46 -46.72 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.21 -52.74 8.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.402 ' HE2' ' CE3' ' A' ' 111' ' ' TRP . 6.9 mtt -63.29 -61.48 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -45.16 -50.23 9.54 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -67.28 -52.46 40.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.75 -23.71 44.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 71' ' ' PHE . . . -80.6 -32.93 36.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.567 ' HD2' ' CD2' ' A' ' 52' ' ' PHE . 34.2 ttt-85 -109.73 145.14 37.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -104.7 141.57 22.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -41.77 3.95 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -58.68 -40.37 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.39 130.85 18.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 134.2 27.36 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.653 2.236 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.465 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 88.9 t -68.91 115.86 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 m -66.76 -60.44 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.566 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 48.2 tttp -147.19 145.86 29.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.18 127.84 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.14 148.07 10.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 71.7 m95 -72.2 113.4 9.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 mt -116.2 171.93 7.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -117.12 121.64 41.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -107.75 114.28 28.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.24 148.56 18.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.815 0.341 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.451 ' CD1' ' NH1' ' A' ' 84' ' ' ARG . 82.7 m95 -58.78 116.27 3.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -95.04 117.04 29.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -78.11 114.21 16.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -134.45 160.01 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 42.3 t-105 -77.92 116.31 18.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CD2' HD23 ' A' ' 51' ' ' LEU . 3.7 m-85 -100.55 147.32 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.3 t -148.28 138.13 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.5 tp -110.98 113.25 25.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.465 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 15.2 t -142.31 136.56 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.448 ' N ' HG12 ' A' ' 47' ' ' VAL . 8.6 t70 57.45 53.63 7.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 45.73 27.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 69.5 m -134.15 149.55 51.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.543 HD23 ' CD2' ' A' ' 44' ' ' PHE . 3.8 tt -98.61 137.17 37.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 45.2 m-85 -137.98 119.77 15.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 37.8 p90 -104.69 121.75 44.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.487 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 79.7 m-85 -103.72 163.65 12.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -61.25 -32.24 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -162.11 -176.13 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.2 -30.43 68.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -47.38 -34.24 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 33.5 mt-10 53.8 46.23 26.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -60.34 -60.09 4.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 t -148.52 141.72 25.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.483 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 96.4 mt -66.64 126.53 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 59.2 mt -82.5 -38.61 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.01 139.66 6.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.435 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 p -114.28 141.56 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.466 HD12 ' CZ ' ' A' ' 98' ' ' TYR . 31.9 mt -139.7 122.25 10.2 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 124.6 11.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.4 mt -94.78 -25.56 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.474 HD21 ' N ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -58.93 -9.9 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.474 ' N ' HD21 ' A' ' 69' ' ' LEU . 1.8 t -117.78 25.79 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -137.64 159.03 43.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -116.0 76.04 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.2 t -49.12 146.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.27 156.56 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.26 163.59 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.8 m -78.12 167.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -113.88 159.5 35.71 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.557 0.694 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -4.25 13.7 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.4 p -104.9 -16.21 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.0 164.62 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -83.89 47.37 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.6 mm -121.64 111.38 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.7 m -70.66 -40.74 72.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.451 ' NH1' ' CD1' ' A' ' 39' ' ' TRP . 29.0 mtt85 -50.05 178.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -116.5 -68.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.42 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.8 m-70 -75.76 72.3 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.454 ' CG2' ' N ' ' A' ' 88' ' ' PHE . 34.6 m -126.39 157.86 37.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.454 ' N ' ' CG2' ' A' ' 87' ' ' THR . 2.5 p90 -150.93 131.94 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.71 146.59 43.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.13 148.4 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 92' ' ' HIS . 2.5 tt0 -142.61 150.45 40.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.42 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 3.4 t-80 -116.13 -22.46 8.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 74.77 49.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.84 -26.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 52.6 t -113.15 -66.64 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.501 ' NH1' ' CE1' ' A' ' 98' ' ' TYR . 7.8 ptm180 -174.3 179.66 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 82.2 m -126.49 106.88 9.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.501 ' CE1' ' NH1' ' A' ' 96' ' ' ARG . 53.2 m-85 -78.94 154.68 29.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 36.5 m-85 -122.78 151.7 41.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 36.4 m-85 -152.65 119.28 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.9 t -104.85 141.99 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -116.77 133.95 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -52.06 -54.2 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.0 m -110.51 157.48 38.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.79 -18.4 36.88 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -72.26 -37.74 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.35 -38.26 56.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -59.97 -57.28 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.6 pt-20 -57.31 -47.75 80.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.97 -52.14 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 25.7 m95 -51.22 -44.03 61.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 116' ' ' GLY . 78.9 mt -62.3 -38.01 80.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -56.53 -47.87 78.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.98 -51.58 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.478 ' HE1' ' CE3' ' A' ' 111' ' ' TRP . 6.7 mtt -64.03 -61.82 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -39.59 -51.02 3.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.74 -61.12 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.73 -25.75 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.67 -46.4 19.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.826 0.346 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 13.5 ttt180 -124.33 145.56 49.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.434 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 43.7 m-80 -95.33 142.16 24.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -40.35 5.39 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -59.82 -41.8 92.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.37 126.07 15.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.521 0.677 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 131.28 20.94 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.685 2.256 . . . . 0.0 112.304 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.442 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 85.9 t -66.27 117.67 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.0 m -64.85 -58.3 6.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -148.89 134.47 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . . . -127.16 149.6 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.4 142.08 3.56 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 60.5 m95 -70.68 105.87 3.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.0 mt -105.81 175.02 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 1.9 m-85 -125.46 108.28 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.452 ' HG3' ' CE1' ' A' ' 100' ' ' PHE . 21.7 ttpp -93.49 114.3 26.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.4 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 6.2 tt0 -44.86 141.62 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.4 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 67.7 m95 -61.9 146.87 48.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -124.49 110.33 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.486 ' HG3' ' CE2' ' A' ' 29' ' ' PHE . 3.7 ttpm? -73.29 124.27 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -139.85 157.85 45.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.572 ' CE3' ' CD1' ' A' ' 27' ' ' TRP . 43.8 t-105 -72.09 112.5 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.431 ' CE2' HD23 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.33 137.68 38.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.419 HG22 ' C ' ' A' ' 44' ' ' PHE . 53.8 t -139.64 131.08 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.412 ' CD2' ' HB3' ' A' ' 114' ' ' ALA . 44.4 tp -103.24 113.18 26.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 48' ' ' ASP . 54.3 t -140.41 135.46 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.477 ' N ' HG13 ' A' ' 47' ' ' VAL . 5.0 t70 56.51 53.93 8.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 45.5 34.05 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.578 ' SG ' ' CE1' ' A' ' 52' ' ' PHE . 35.9 t -138.93 150.14 45.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.431 HD23 ' CE2' ' A' ' 44' ' ' PHE . 3.6 tt -99.15 128.06 45.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CE1' ' SG ' ' A' ' 50' ' ' CYS . 28.9 m-85 -131.02 119.34 21.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 6.6 p90 -105.69 127.27 52.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.469 ' CD2' ' HA ' ' A' ' 59' ' ' GLU . 75.9 m-85 -113.7 140.49 48.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.466 ' N ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -40.25 -40.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.424 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 2.2 t70 -145.15 -176.7 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -65.97 -20.7 66.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -55.78 -42.72 75.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.469 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 33.6 mt-10 62.34 49.29 4.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -60.01 -58.55 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -147.8 125.95 12.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 16' ' ' ARG . 34.4 mt -47.94 111.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 15.3 mt -66.27 -49.56 66.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.85 115.8 0.69 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.6 m -86.87 138.42 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.7 mt -130.17 112.96 17.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.652 0.739 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 121.01 7.71 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.357 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.9 mt -94.01 -26.7 16.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.69 -16.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 32.0 p -119.53 42.79 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 92' ' ' HIS . 23.4 m-85 -146.52 169.78 18.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -128.64 81.23 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.54 146.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.76 133.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.31 164.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.8 m -86.16 164.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -114.0 158.86 38.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.54 4.33 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.393 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.0 t -114.65 -4.85 12.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.91 18.29 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.0 m120 52.12 33.48 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.6 mm -97.86 94.26 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.9 p -50.15 -39.26 42.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -63.33 -178.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -127.04 -60.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.407 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.9 m-70 -77.92 69.6 4.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 88' ' ' PHE . 98.3 m -131.63 156.56 45.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -137.09 131.56 32.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -105.32 132.14 51.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -111.49 137.31 49.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 pm0 -137.07 153.51 50.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 70' ' ' SER . 7.6 t-80 -116.57 2.09 12.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 48.5 31.72 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.72 -43.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.1 t -99.93 -64.0 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.808 0.337 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.496 ' HD3' ' CZ ' ' A' ' 98' ' ' TYR . 9.6 ptm180 -174.13 -175.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.8 m -127.14 114.92 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.496 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 61.6 m-85 -89.98 172.04 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 33.9 m-85 -142.04 147.56 37.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 9.2 m-85 -150.94 124.07 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -102.82 159.75 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.13 124.03 39.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -49.74 -25.82 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 p -134.74 156.13 78.86 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.649 0.738 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.407 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.76 -35.29 12.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.648 2.232 . . . . 0.0 112.379 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -61.01 -38.04 84.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -69.38 -46.27 67.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.06 -62.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.7 pt-20 -52.27 -50.5 62.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.521 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.34 -42.35 73.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.49 ' CE3' ' HE2' ' A' ' 115' ' ' MET . 35.1 m95 -61.21 -57.96 10.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 116' ' ' GLY . 85.6 mt -44.88 -41.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.56 -49.46 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.412 ' HB3' ' CD2' ' A' ' 46' ' ' LEU . . . -78.21 -51.51 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.49 ' HE2' ' CE3' ' A' ' 111' ' ' TRP . 9.5 mtt -63.56 -62.27 1.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.17 -46.3 8.1 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -70.86 -55.27 8.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.95 -31.63 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.5 -47.78 69.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.2 mttp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.9 ttt-85 -106.6 137.06 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -76.08 154.33 84.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -33.51 16.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -106.85 38.81 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.24 124.32 45.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 140.59 43.28 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.455 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 76.6 t -78.72 108.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' LEU . 4.2 m -58.14 -57.13 14.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.513 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 41.0 tttp -156.42 132.13 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.61 149.95 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.22 141.62 3.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 76.1 m95 -71.75 123.84 23.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.5 mt -129.61 178.42 6.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -119.29 118.44 31.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -98.72 105.27 17.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -51.59 139.68 20.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.79 0.328 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -117.59 136.44 53.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -119.41 112.15 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -77.93 120.4 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -138.06 161.21 37.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.578 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 31.8 t-105 -75.35 115.22 14.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -100.54 135.3 42.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.1 t -138.14 130.47 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 23' ' ' THR . 27.0 tp -103.34 113.47 26.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 48' ' ' ASP . 55.1 t -140.03 136.87 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' HG13 ' A' ' 47' ' ' VAL . 8.3 t70 57.7 54.39 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 46.09 26.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 4.5 t -132.29 156.21 46.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 tt -102.54 136.1 42.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 50' ' ' CYS . 18.7 m-85 -137.24 121.46 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.442 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 50.7 p90 -109.26 123.55 49.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 75.9 m-85 -108.54 154.34 22.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -56.92 -29.21 62.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 6.3 p30 -150.31 -175.14 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -83.0 38.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -102.66 -25.73 13.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 54.4 mt-10 45.15 53.2 8.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -99.34 -54.8 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -127.36 115.01 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.494 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 87.3 mt -65.01 116.34 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.24 -37.49 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -167.2 126.01 1.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 p -102.7 128.94 49.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.419 HG22 ' CE2' ' A' ' 98' ' ' TYR . 61.4 mt -117.53 115.75 37.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.466 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 54.4 Cg_endo -69.72 119.01 6.03 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.4 mt -94.41 -25.06 17.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.23 -15.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.574 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 15.8 p -125.19 40.73 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 67' ' ' PRO . 17.0 m-85 -140.66 -179.26 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -134.99 102.02 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.3 t -87.8 137.18 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.02 143.99 3.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.03 158.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.9 m -72.52 174.49 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -114.88 156.56 44.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.4 16.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.2 p -105.5 -7.53 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.16 165.0 25.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 81' ' ' ASN . 2.0 p-10 -90.63 55.25 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.1 mm -126.87 98.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 p -78.43 1.24 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -97.62 129.37 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -80.05 152.62 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.405 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 5.2 m-70 69.14 55.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 88' ' ' PHE . 55.8 m -123.03 155.41 36.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 6.8 p90 -148.07 138.68 22.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.4 OUTLIER -116.15 146.8 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -123.09 122.13 37.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -140.82 136.83 32.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 70' ' ' SER . 22.6 t-80 -83.49 -6.49 59.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 69.66 54.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.59 -20.08 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.462 ' CG2' ' H ' ' A' ' 96' ' ' ARG . 21.4 m -111.86 -56.39 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 111.138 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.462 ' H ' ' CG2' ' A' ' 95' ' ' VAL . 7.7 ptm180 -176.87 -179.89 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 63.5 m -134.81 104.39 5.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.447 ' CE2' ' HD3' ' A' ' 96' ' ' ARG . 51.8 m-85 -82.49 160.63 22.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 55.1 m-85 -134.46 147.56 50.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.457 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 16.6 m-85 -150.38 122.04 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.8 t -104.84 156.24 18.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -127.53 144.22 51.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.94 -36.87 85.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.1 p -124.06 153.26 67.87 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.686 0.755 . . . . 0.0 110.8 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.405 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 54.3 Cg_endo -69.74 -25.26 28.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.278 . . . . 0.0 112.368 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.55 -17.31 62.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -90.9 -46.95 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -53.36 -57.99 8.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.3 pt-20 -56.82 -49.09 76.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.509 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.55 -43.8 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.513 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 36.9 m95 -60.29 -52.92 63.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 116' ' ' GLY . 67.0 mt -49.8 -44.46 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -49.25 -42.85 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.35 -54.79 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.5 mtt -58.7 -61.95 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -42.65 -48.86 5.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -67.16 -54.61 19.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.24 -15.3 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.68 -41.76 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 29.7 mtp85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.87 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 pttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.736 0.303 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 27.6 ttt-85 -128.2 141.67 51.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -97.77 141.93 23.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.37 7.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -59.96 -41.74 92.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.29 129.23 17.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 130.85 20.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.433 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 86.4 t -66.31 117.35 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.408 ' CG2' HD23 ' A' ' 46' ' ' LEU . 21.9 m -64.23 -52.13 60.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -156.79 139.54 15.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.0 140.65 49.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.07 143.6 6.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.547 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 84.3 m95 -72.75 107.5 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.7 mt -112.33 176.03 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -117.1 114.66 24.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -90.97 126.66 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -74.22 138.3 43.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.065 179.906 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.811 0.339 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -115.1 138.48 50.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -120.31 95.54 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.412 ' C ' ' HG2' ' A' ' 42' ' ' ARG . 77.4 tttt -54.98 123.75 14.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.412 ' HG2' ' C ' ' A' ' 41' ' ' LYS . 11.8 mmt180 -145.27 156.35 43.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.547 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 61.1 t-105 -73.69 115.19 12.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.412 ' C ' HG22 ' A' ' 45' ' ' VAL . 4.4 m-85 -100.53 139.93 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.412 HG22 ' C ' ' A' ' 44' ' ' PHE . 81.7 t -140.48 131.23 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.087 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.408 HD23 ' CG2' ' A' ' 23' ' ' THR . 54.9 tp -103.54 113.78 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 48' ' ' ASP . 46.7 t -141.07 135.55 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.478 ' N ' HG12 ' A' ' 47' ' ' VAL . 3.5 t70 55.53 54.83 7.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 19.1 mtm105 45.7 27.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 5.3 t -131.82 149.1 52.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -98.17 132.44 43.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 40.4 m-85 -135.15 119.22 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 31.3 p90 -108.25 127.71 54.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.526 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 63.4 m-85 -115.5 142.84 46.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HE3' ' CE ' ' A' ' 58' ' ' LYS . 9.6 pttp -44.47 -32.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -148.13 -178.85 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -79.76 44.1 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.466 ' CE ' ' HE3' ' A' ' 55' ' ' LYS . 2.3 ptmm? -103.31 -33.8 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.526 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 36.2 mt-10 53.91 45.4 27.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -101.22 -57.78 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.0 p -115.25 123.5 48.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.9 mt -79.05 116.71 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 56.6 mt -77.95 -45.89 22.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.467 ' HA3' ' CE2' ' A' ' 53' ' ' TYR . . . -152.88 136.24 5.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.422 ' C ' HG13 ' A' ' 66' ' ' ILE . 11.7 t -120.71 146.83 46.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 110.858 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.569 ' CD1' ' CZ ' ' A' ' 98' ' ' TYR . 36.6 mt -143.71 123.38 7.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.191 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 121.43 8.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.0 mt -92.94 -26.16 17.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -53.89 -14.94 1.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 89.3 p -123.07 42.89 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 92' ' ' HIS . 25.5 m-85 -147.29 155.25 41.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -112.76 80.41 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.82 135.27 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.58 137.83 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.53 143.93 18.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.6 m -53.04 154.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -87.65 157.68 52.04 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.19 2.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 t -127.64 32.05 5.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -108.03 164.25 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -85.78 46.45 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.1 mm -124.4 86.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.9 p -54.43 -44.69 72.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -57.22 121.85 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -80.11 163.65 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.441 ' CD2' ' HD3' ' A' ' 105' ' ' PRO . 6.9 m-70 66.71 46.61 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.47 HG21 ' N ' ' A' ' 88' ' ' PHE . 72.6 m -118.06 157.04 27.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.47 ' N ' HG21 ' A' ' 87' ' ' THR . 5.2 p90 -148.36 131.3 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -114.34 146.69 40.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.43 ' O ' ' CG2' ' A' ' 97' ' ' THR . . . -105.8 152.85 22.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 92' ' ' HIS . 1.5 tt0 -147.47 143.61 28.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 4.4 t-80 -109.82 -20.92 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 73.57 41.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -177.08 -28.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.417 HG21 ' ND1' ' A' ' 92' ' ' HIS . 46.1 t -109.91 -65.6 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -174.64 -178.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 60.4 m -127.72 105.46 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.569 ' CZ ' ' CD1' ' A' ' 66' ' ' ILE . 56.3 m-85 -78.87 156.44 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 20.1 m-85 -125.41 151.51 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 18.8 m-85 -155.91 116.25 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.9 t -95.64 161.28 14.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.08 127.29 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -46.73 -50.73 17.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 p -116.6 155.87 48.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.441 ' HD3' ' CD2' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.74 -21.24 33.86 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.688 2.258 . . . . 0.0 112.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.59 -31.54 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -81.4 -43.09 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -55.32 -51.16 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.8 pt-20 -62.71 -50.53 70.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.531 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.71 -49.32 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.467 ' CE3' ' HE2' ' A' ' 115' ' ' MET . 36.1 m95 -56.13 -51.16 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 116' ' ' GLY . 89.6 mt -51.9 -39.54 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -53.71 -45.48 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.84 -55.98 4.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.467 ' HE2' ' CE3' ' A' ' 111' ' ' TRP . 4.0 mtt -58.64 -57.84 11.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -47.32 -51.67 14.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.535 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -63.93 -63.09 1.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.61 -29.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 120' ' ' ARG . . . -66.33 -43.29 86.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 119' ' ' ALA . 15.0 ptt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.813 0.34 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.497 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 9.0 ttt-85 -130.7 90.83 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -50.3 141.3 16.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.619 0.723 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -41.8 3.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -59.5 -40.13 86.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.66 127.2 13.57 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.572 0.701 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 133.65 26.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.39 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.456 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 95.3 t -66.14 114.04 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 46.5 m -65.7 -57.96 6.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.559 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 42.5 tttp -160.31 133.6 6.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.73 147.27 52.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.93 152.6 10.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -72.0 107.02 4.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.84 0.352 . . . . 0.0 110.966 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.4 mt -116.2 178.92 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -122.58 131.2 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 31' ' ' GLN . 21.9 tttm -108.85 98.48 7.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' LYS . 5.0 tt0 -35.0 141.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.342 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -94.62 148.98 21.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -116.41 119.84 36.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -82.25 111.25 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -133.57 159.89 39.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -78.28 118.43 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CD2' HD23 ' A' ' 51' ' ' LEU . 3.6 m-85 -102.79 141.06 36.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.401 HG23 ' C ' ' A' ' 44' ' ' PHE . 77.5 t -143.0 129.0 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.6 tp -103.59 113.23 26.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 4.1 t -144.66 136.02 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 59.86 54.74 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 44.22 27.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 94.9 m -134.53 152.8 52.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.558 HD23 ' CD2' ' A' ' 44' ' ' PHE . 3.9 tt -103.6 132.58 49.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 32.1 m-85 -131.43 119.42 21.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.529 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 52.1 p90 -105.7 116.44 31.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 70.9 m-85 -102.72 132.3 48.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -37.02 -40.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -144.22 -177.43 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 11.37 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -81.25 -19.67 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 48.89 47.34 21.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.15 -55.07 7.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.6 m -152.41 138.26 18.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.5 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 98.6 mt -70.28 117.54 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.529 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 7.2 mt -74.31 -37.75 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.0 143.89 8.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 m -116.4 137.64 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.6 mt -119.45 114.59 34.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 96.47 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 61.2 mt -76.11 -19.02 58.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -59.63 -9.42 2.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.48 ' N ' HD23 ' A' ' 69' ' ' LEU . 4.5 p -129.57 38.71 3.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -140.26 161.82 36.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -121.33 87.9 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.3 t -65.52 143.31 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.73 132.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.95 156.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.53 165.37 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -107.78 160.43 26.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.605 0.717 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -12.87 33.72 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.2 p -96.82 -10.49 26.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 4.5 t0 -65.33 164.72 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -96.19 35.23 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.2 mm -99.64 129.46 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.2 p -95.06 33.84 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -126.21 179.2 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.53 -73.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 2.3 m-70 -78.89 82.41 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 88' ' ' PHE . 54.6 m -131.47 155.78 46.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 2.2 p90 -145.76 131.01 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.57 132.24 56.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.67 114.84 29.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.61 149.68 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 94' ' ' GLY . 18.7 t-80 -128.39 86.69 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -31.52 92.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 129.26 -0.58 6.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.463 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.1 t -131.58 -77.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.531 ' CG ' ' N ' ' A' ' 97' ' ' THR . 12.7 ttm-85 -176.82 165.23 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.531 ' N ' ' CG ' ' A' ' 96' ' ' ARG . 16.3 m -112.24 140.34 47.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 89' ' ' LYS . 30.4 m-85 -122.93 168.95 11.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 47.6 m-85 -141.45 149.34 40.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.434 ' HB2' ' CE2' ' A' ' 88' ' ' PHE . 41.7 m-85 -156.11 123.55 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 t -98.93 168.82 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.93 32.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -59.44 -44.77 92.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -118.89 153.12 52.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.3 Cg_endo -69.82 -21.86 32.61 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.62 2.213 . . . . 0.0 112.345 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.78 -30.4 64.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.77 -44.64 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -50.29 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.6 pt-20 -52.21 -48.7 64.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.5 -43.72 72.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.559 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.3 m95 -60.38 -43.1 96.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 116' ' ' GLY . 83.4 mt -62.53 -34.96 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.89 -41.03 90.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.99 -41.27 18.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.402 ' HE3' ' CE3' ' A' ' 111' ' ' TRP . 9.9 mtt -73.37 -62.51 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -43.4 -40.12 4.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -75.57 -63.15 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.14 -18.83 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -79.56 -34.49 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.86 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.767 0.318 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -102.99 118.54 37.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -99.27 137.1 20.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -35.93 11.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -63.18 -37.41 87.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 126.77 92.68 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 142.96 49.45 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.736 2.291 . . . . 0.0 112.307 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.427 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 9.4 p -74.18 116.56 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.0 m -67.42 -51.71 48.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.54 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 33.8 tttp -162.06 138.7 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . . . -137.95 150.23 46.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.49 148.26 6.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 76.7 m95 -71.65 112.19 7.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.766 0.317 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 mt -116.78 178.29 4.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 45.0 m-85 -117.86 122.05 42.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -104.15 117.5 34.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 10.1 tt0 -63.53 140.04 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.924 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.322 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.425 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 78.2 m95 -86.07 125.52 33.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -101.46 110.18 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 32.3 tttp -74.08 125.2 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -145.28 165.83 27.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.559 ' CZ2' ' HB2' ' A' ' 25' ' ' ALA . 58.3 t-105 -82.18 116.48 21.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -101.23 139.01 37.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -140.02 129.4 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.5 tp -104.43 114.64 29.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.427 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 4.4 t -143.45 132.33 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t70 60.88 53.7 3.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 45.11 37.56 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.4 m -142.78 149.9 39.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tt -98.54 133.0 43.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -131.21 119.38 21.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.534 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 35.9 p90 -109.74 115.99 30.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CE1' HG12 ' A' ' 62' ' ' ILE . 86.1 m-85 -104.09 168.87 8.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -65.33 -35.47 81.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -157.03 -177.92 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -64.03 -8.59 12.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -63.14 -44.81 94.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.22 46.03 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.08 -46.71 64.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 t -151.4 141.88 22.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 54' ' ' TYR . 86.8 mt -70.97 118.06 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 46.5 mt -75.76 -32.66 60.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.534 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -174.48 130.9 1.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.2 m -109.32 136.11 49.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 31.9 mt -128.32 115.85 19.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 121.49 8.18 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.4 mt -93.73 -26.71 16.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.7 tp -47.81 -18.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.467 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 3.9 p -121.02 40.99 3.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 70' ' ' SER . 19.0 m-85 -145.24 176.81 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -133.64 109.31 9.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.0 t -91.21 147.83 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.63 158.64 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.82 147.1 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -58.79 177.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -120.05 160.51 42.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -14.67 36.26 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.3 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.7 p -99.09 8.72 44.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.41 174.09 10.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -99.55 22.14 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.2 mm -97.63 133.67 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -97.51 -42.09 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.3 mtt-85 -58.88 129.68 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -79.37 164.43 24.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.409 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.9 m-70 59.06 53.17 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 88' ' ' PHE . 3.5 m -117.62 156.89 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.1 p90 -148.55 145.27 27.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 155.2 36.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -131.3 119.24 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 97' ' ' THR . 3.1 pt-20 -138.7 138.05 37.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 70' ' ' SER . 42.3 t-80 -87.92 0.22 56.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 62.24 55.0 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.05 -21.67 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.448 ' CG2' ' H ' ' A' ' 96' ' ' ARG . 18.2 m -112.8 -56.42 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.448 ' H ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -177.55 -178.51 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.462 ' CG2' ' HB3' ' A' ' 91' ' ' GLU . 40.9 m -134.46 102.94 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -78.87 156.35 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.5 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 16.8 m-85 -127.88 150.19 49.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 31.2 m-85 -152.8 120.98 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.6 t -103.65 149.65 24.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -121.94 143.35 49.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.51 -36.46 82.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.5 m -125.52 151.99 71.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.2 Cg_endo -69.77 -18.52 36.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -77.8 -16.55 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -93.56 -41.27 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 87' ' ' THR . 18.8 tt0 -56.74 -57.49 12.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.3 pt-20 -57.72 -49.24 77.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -53.63 -48.89 68.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.54 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 35.2 m95 -57.05 -49.62 75.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 116' ' ' GLY . 79.6 mt -51.89 -42.83 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -50.08 -43.66 51.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.27 -54.62 5.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.499 ' HE1' ' CE3' ' A' ' 111' ' ' TRP . 10.5 mtt -58.5 -59.87 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -45.81 -56.0 6.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.24 -45.06 96.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.87 -13.66 61.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -106.47 -2.54 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.5 mttm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.795 0.331 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.501 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 7.1 ttt-85 -97.02 120.5 37.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -77.97 143.28 65.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -37.15 9.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -63.12 -39.76 95.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.73 129.63 71.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 131.54 21.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.27 . . . . 0.0 112.306 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.467 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 5.7 p -66.19 117.27 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -66.11 -63.64 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.521 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 33.1 tttp -150.58 133.54 16.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.94 146.99 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.65 157.48 17.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 94.7 m95 -76.36 112.92 13.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.787 0.327 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.516 HD13 ' CE2' ' A' ' 111' ' ' TRP . 16.1 mt -120.02 170.59 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 3.4 m-85 -117.93 114.33 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -91.74 124.52 35.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -58.43 154.57 13.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.83 0.347 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -132.09 135.83 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -112.88 124.34 52.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 18.9 tttm -86.97 108.15 18.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -129.43 158.92 37.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.571 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 49.5 t-105 -73.72 118.45 16.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -100.97 141.89 33.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.7 t -143.01 128.33 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.3 tp -103.39 113.61 27.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 17.7 t -141.9 136.12 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.439 ' N ' HG11 ' A' ' 47' ' ' VAL . 18.3 t0 56.91 54.1 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 46.02 28.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 70.8 m -133.17 153.09 51.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.8 tt -103.13 131.29 50.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 38.8 m-85 -133.35 119.67 20.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 5.7 p90 -108.32 122.79 47.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.461 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 73.7 m-85 -105.56 149.78 25.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -44.9 -32.36 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -152.99 -175.05 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.571 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 4.4 tp10 -69.24 -26.38 64.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -49.68 -27.18 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.461 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 34.4 mt-10 51.5 53.72 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -75.02 -64.16 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.2 t -134.18 143.03 47.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.0 mt -71.78 116.36 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.535 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 73.9 mt -74.24 -45.21 49.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.81 115.12 0.64 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 p -90.5 137.2 32.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.509 HD12 ' CE2' ' A' ' 98' ' ' TYR . 32.6 mt -129.73 115.29 18.03 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 119.52 6.45 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.8 mt -93.96 -25.51 17.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.43 -15.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 13.0 m -118.83 33.77 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -137.36 174.62 10.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -133.58 89.43 2.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.44 146.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -169.53 134.74 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.61 138.88 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 87' ' ' THR . 3.3 m -53.7 168.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -114.49 158.72 39.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -1.87 9.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.314 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -106.49 -12.56 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.11 156.93 36.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -85.14 46.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.2 mm -114.48 88.75 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.2 m -45.71 -33.22 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -63.53 162.96 11.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -108.18 -58.43 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 5.4 m-70 -76.9 64.39 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.43 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 52.8 m -130.79 143.46 50.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.496 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -127.75 131.63 49.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 2.4 pttm -101.34 133.36 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -111.27 125.4 53.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' ARG . 2.9 pt-20 -124.8 143.44 50.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 70' ' ' SER . 3.7 t-80 -106.33 -10.84 16.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 60.96 35.28 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -161.46 -40.84 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.9 t -104.97 -71.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 111.1 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.44 ' NE ' ' OH ' ' A' ' 98' ' ' TYR . 6.4 ptt180 -167.36 172.98 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.7 m -114.82 117.63 31.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.509 ' CE2' HD12 ' A' ' 66' ' ' ILE . 21.8 m-85 -88.78 171.53 9.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 19.6 m-85 -139.24 141.99 37.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 12.7 m-85 -144.43 132.38 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.6 t -116.57 160.92 19.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.88 138.4 48.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.71 -44.29 96.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.27 146.42 33.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.845 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.537 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.71 -17.94 37.51 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -77.8 -30.96 51.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -78.67 -40.51 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -52.05 -62.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.3 pt-20 -54.48 -49.04 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.24 -42.08 72.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.521 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.7 m95 -61.1 -52.74 63.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.54 -49.85 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -46.05 -40.44 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.27 -57.29 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.521 ' HE2' ' CE3' ' A' ' 111' ' ' TRP . 13.4 mtt -57.88 -65.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' MET . . . -37.66 -49.47 1.86 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -68.04 -60.15 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.47 -18.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.54 -43.35 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 120' ' ' ARG . 3.1 ptp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.763 0.316 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' CZ ' HG23 ' A' ' 47' ' ' VAL . 9.1 tpt85 -103.68 135.03 46.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -113.95 139.24 23.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.641 0.734 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.61 30.55 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -69.34 -42.2 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.83 123.52 79.99 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 111.091 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 134.12 27.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.473 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 5.0 p -61.36 113.62 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -63.82 -55.34 23.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.505 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 32.7 tttp -159.2 134.3 8.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.96 131.26 36.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.405 ' HA2' ' CZ3' ' A' ' 43' ' ' TRP . . . -163.63 154.32 25.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -72.37 108.46 5.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 0.0 110.956 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.7 mt -120.23 178.05 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 45.8 m-85 -116.8 123.82 48.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -99.71 99.89 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 7.8 tt0 -46.43 148.71 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.52 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 69.1 m95 -61.92 122.56 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -104.86 99.27 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 19.3 tttm -59.72 120.5 9.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -138.97 158.88 43.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.405 ' CZ3' ' HA2' ' A' ' 26' ' ' GLY . 38.9 t-105 -74.08 117.67 16.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.35 138.26 37.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.3 t -140.1 129.14 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 tp -103.36 113.93 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 15.1 t -142.85 134.67 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 59.09 52.33 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 47.17 28.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.2 t -133.07 151.32 52.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -101.43 129.57 47.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 46.6 m-85 -131.17 119.35 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.6 p90 -108.6 120.65 43.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -104.42 155.88 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -50.19 -39.36 43.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -155.03 -178.36 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.7 -18.54 54.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -54.93 -35.69 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 58.51 46.41 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -65.24 -63.25 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -143.5 147.24 34.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.54 121.93 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 45.9 mt -79.39 -40.15 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -164.73 114.54 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.4 p -88.71 141.81 28.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.514 HD13 ' CE1' ' A' ' 98' ' ' TYR . 32.9 mt -138.76 112.36 8.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.73 4.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' SER . 39.9 mt -84.41 -34.51 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.43 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -41.91 -23.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.598 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 32.4 t -115.78 43.04 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' LEU . 16.1 m-85 -143.13 175.08 10.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -133.88 92.85 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 t -72.42 142.14 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.06 128.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.4 160.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.48 172.96 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -112.24 160.24 30.88 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.703 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -9.11 25.31 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.6 p -91.13 -20.34 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -67.91 156.73 36.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -94.07 46.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.4 mt -108.92 102.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.2 p -59.8 -47.98 83.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -56.05 137.25 51.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -94.11 175.09 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 8.1 m-70 52.11 49.98 19.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' A' ' 88' ' ' PHE . 18.6 m -110.87 159.17 17.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.489 ' N ' ' CG2' ' A' ' 87' ' ' THR . 1.3 p90 -153.56 132.39 12.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.477 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -118.26 146.57 44.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.91 132.35 53.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -124.6 138.02 54.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 70' ' ' SER . 11.5 t-80 -106.68 -6.59 17.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 54.16 51.93 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.48 -35.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.421 HG11 ' NH1' ' A' ' 96' ' ' ARG . 11.2 t -109.92 -70.67 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.421 ' NH1' HG11 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -164.44 -177.31 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.9 m -129.24 104.6 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.514 ' CE1' HD13 ' A' ' 66' ' ' ILE . 23.9 m-85 -78.87 153.47 30.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 11.2 m-85 -122.95 155.27 37.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 31.7 m-85 -155.91 119.38 4.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 t -99.38 157.39 16.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.53 142.99 49.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.46 -46.11 84.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.4 p -117.45 154.55 50.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.747 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.81 -20.53 34.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -73.26 -24.97 60.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -84.09 -42.92 15.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -59.34 -53.04 62.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.5 pt-20 -58.86 -46.03 88.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.452 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -61.83 -47.45 85.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.505 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 31.7 m95 -56.86 -44.25 82.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 116' ' ' GLY . 74.2 mt -58.68 -38.64 72.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -53.54 -46.25 70.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.53 -53.56 6.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 6.4 mtt -60.96 -60.85 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.97 -49.09 9.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.63 -45.96 81.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.96 -29.61 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.76 -45.15 21.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.064 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.91 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.773 0.32 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.467 ' CZ ' HG23 ' A' ' 47' ' ' VAL . 9.1 tpt85 -93.76 132.42 38.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' OD1' ' ND2' ' A' ' 19' ' ' ASN . 6.8 t-20 -102.82 121.92 47.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.25 35.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.314 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.457 ' ND2' ' OD1' ' A' ' 17' ' ' ASN . 1.2 p30 -90.36 -33.99 15.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.79 131.08 91.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 138.01 36.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.452 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 74.3 t -62.23 110.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.404 ' CG2' HD23 ' A' ' 46' ' ' LEU . 31.3 m -59.39 -43.15 92.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.57 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 37.2 tttp -173.76 132.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.48 143.24 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.33 146.83 7.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.494 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 74.7 m95 -72.92 104.7 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -110.6 173.5 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -115.56 116.76 28.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -97.75 108.72 21.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -48.44 145.96 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.809 0.338 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -71.69 133.85 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -107.83 121.19 44.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -75.12 126.04 30.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -145.42 154.88 42.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 60.7 t-105 -75.31 122.23 23.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CD2' HD23 ' A' ' 51' ' ' LEU . 3.2 m-85 -106.57 134.76 49.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.7 t -139.05 127.89 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.404 HD23 ' CG2' ' A' ' 23' ' ' THR . 18.9 tp -104.1 113.29 26.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' CZ ' ' A' ' 16' ' ' ARG . 9.6 t -143.95 142.45 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.465 ' N ' HG12 ' A' ' 47' ' ' VAL . 8.6 t70 58.36 49.43 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? 46.32 48.8 13.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.2 t -159.33 156.84 29.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.548 HD23 ' CD2' ' A' ' 44' ' ' PHE . 2.5 tt -100.3 133.33 44.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 28.9 m-85 -131.36 119.33 21.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 5.7 p90 -106.61 122.42 46.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.42 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 74.7 m-85 -112.15 154.0 26.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -54.07 -37.47 64.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -150.32 177.96 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.72 -22.39 57.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -53.48 -37.45 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.42 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 21.9 mt-10 53.28 34.18 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -51.73 -59.59 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.9 m -135.08 141.36 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.4 mt -68.47 119.59 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.539 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 45.9 mt -72.39 -41.71 66.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -175.46 116.72 0.58 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -82.78 140.31 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.839 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 80.7 mt -129.94 116.19 17.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.567 0.698 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 134.12 27.16 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 51' ' ' LEU . 41.3 mt -110.06 -21.27 12.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.416 ' CD2' ' H ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -51.9 -16.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -100.86 -32.08 10.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -79.39 169.54 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' VAL . 69.9 ttt180 -130.86 64.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 72' ' ' ARG . 48.6 t -33.69 144.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.92 129.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.45 152.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 m -66.22 -176.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.428 ' CD ' ' HD2' ' A' ' 78' ' ' PRO . 5.7 mm-40 -136.18 162.0 59.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.428 ' HD2' ' CD ' ' A' ' 77' ' ' GLN . 53.7 Cg_endo -69.74 -4.33 13.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.244 . . . . 0.0 112.37 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 t -95.91 -17.73 20.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.63 156.65 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.52 47.29 1.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.8 mm -106.04 126.65 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.7 t -94.79 -43.25 8.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -64.92 135.42 55.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -86.15 161.2 18.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.409 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.7 m-70 67.52 50.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 88' ' ' PHE . 37.9 m -122.36 147.93 45.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -131.76 131.38 42.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 8.6 pttt -105.19 135.41 46.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -106.73 131.2 54.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -137.19 134.61 36.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.437 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 1.9 t-80 -98.92 -16.57 18.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 70.79 37.24 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.69 -31.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.26 -63.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.549 ' HD3' ' CE2' ' A' ' 98' ' ' TYR . 0.2 OUTLIER -175.0 178.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.3 m -122.22 106.42 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.549 ' CE2' ' HD3' ' A' ' 96' ' ' ARG . 30.5 m-85 -81.47 169.88 16.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 20.8 m-85 -140.88 138.27 33.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -139.15 118.5 12.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -96.91 150.08 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -125.5 123.0 38.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.79 -43.36 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.2 p -121.57 153.82 59.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.701 0.763 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 54.0 Cg_endo -69.73 -22.86 31.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -74.15 -19.16 60.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -81.41 -54.1 5.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 111' ' ' TRP . 9.8 tt0 -56.49 -63.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.5 pt-20 -38.97 -44.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -72.38 -34.14 67.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.57 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 32.0 m95 -68.6 -42.62 77.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 116' ' ' GLY . 79.9 mt -57.77 -39.87 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.22 -46.81 69.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.35 -56.7 4.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.491 ' HE1' ' CE3' ' A' ' 111' ' ' TRP . 6.3 mtt -59.5 -59.33 5.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -47.93 -51.25 19.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -63.36 -55.27 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.98 -21.95 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.8 -45.17 21.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.916 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.783 0.325 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.425 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 22.2 ttt-85 -74.69 139.95 43.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -86.65 124.13 69.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -13.37 34.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -88.29 -36.01 16.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.4 128.97 93.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 130.45 19.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.47 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 95.5 t -52.82 109.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 m -58.53 -59.34 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.477 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 10.5 tttm -154.33 138.18 16.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.443 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.17 130.93 45.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.07 142.55 7.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.65 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 68.2 m95 -70.78 106.05 3.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.52 HD13 ' CE2' ' A' ' 111' ' ' TRP . 45.6 mt -110.65 174.04 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 5.8 m-85 -117.06 105.85 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -83.22 116.22 22.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' NE2' ' CD1' ' A' ' 82' ' ' ILE . 4.8 tt0 -53.47 159.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.771 0.32 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.426 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 57.1 m95 -61.0 143.54 55.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -110.49 112.27 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 36.0 tttt -77.53 119.53 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -141.12 167.61 21.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.65 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 33.5 t-105 -80.71 116.15 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.483 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.21 136.56 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.0 t -138.76 126.88 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.4 tp -103.13 112.96 26.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 12.5 t -143.0 135.73 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.452 ' N ' HG11 ' A' ' 47' ' ' VAL . 18.3 t70 58.49 54.6 5.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 44.65 29.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.2 t -134.96 147.58 49.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.483 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.3 tt -98.91 131.05 45.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 50' ' ' CYS . 35.8 m-85 -131.55 119.25 21.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.573 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 37.5 p90 -109.6 118.69 37.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.424 ' CE2' HG12 ' A' ' 62' ' ' ILE . 66.4 m-85 -103.4 140.92 36.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.468 ' N ' HD11 ' A' ' 63' ' ' LEU . 18.4 pttm -40.42 -41.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -142.41 -175.1 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 1.9 pp20? -80.88 41.87 0.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -99.86 -32.91 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 54.8 48.31 20.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -106.23 -64.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -111.88 129.21 56.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.424 HG12 ' CE2' ' A' ' 54' ' ' TYR . 81.0 mt -82.93 118.67 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.508 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 58.8 mt -76.08 -45.18 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.58 134.04 3.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 p -118.01 133.46 55.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.453 HG12 ' CZ ' ' A' ' 98' ' ' TYR . 3.9 mp -119.67 120.73 30.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 80.24 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.376 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 51' ' ' LEU . 87.7 mt -51.37 -33.25 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tp -49.32 -18.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 73.2 m -123.21 46.99 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.536 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 23.0 m-85 -147.16 166.76 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -122.98 87.88 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.24 144.53 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.99 151.12 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.81 153.52 36.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.452 ' CG2' ' HB ' ' A' ' 87' ' ' THR . 4.0 m -68.97 170.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -120.28 159.51 47.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.636 0.732 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.3 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.6 m -104.8 -19.84 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -73.91 163.34 28.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -83.92 38.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 99' ' ' PHE . 43.4 mm -99.23 108.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.186 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.8 m -81.81 40.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' CZ ' ' OG ' ' A' ' 101' ' ' SER . 12.4 mtp180 -132.8 175.22 9.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -106.68 -66.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.428 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 2.9 m-70 -89.97 83.85 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.452 ' HB ' ' CG2' ' A' ' 76' ' ' VAL . 77.2 m -133.18 156.52 47.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 12.1 p90 -150.8 131.17 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.536 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -120.33 145.64 46.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.498 ' O ' ' CG2' ' A' ' 97' ' ' THR . . . -103.11 150.18 23.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -140.49 134.69 31.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.536 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 6.6 t-80 -106.95 -2.19 21.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 49.81 40.23 19.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.03 -41.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.463 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.3 t -103.68 -67.42 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 6.5 ptm180 -170.41 -177.22 2.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 21.1 m -125.0 110.22 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.557 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 43.7 m-85 -84.05 150.18 25.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 82' ' ' ILE . 26.1 m-85 -120.62 143.86 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 11.9 m-85 -145.39 118.57 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.436 ' OG ' ' CZ ' ' A' ' 84' ' ' ARG . 12.3 t -104.51 140.5 37.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -113.05 132.69 55.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -46.18 -54.11 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 m -112.91 160.79 29.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.694 0.759 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.428 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.74 -19.13 36.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.93 -37.01 72.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -71.2 -52.02 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -46.03 -60.29 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.535 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 8.3 pt-20 -55.4 -50.63 69.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -51.29 -42.4 61.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.556 ' CE3' ' HE2' ' A' ' 115' ' ' MET . 47.8 m95 -64.9 -62.1 1.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 88.5 mt -39.84 -34.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -60.67 -46.76 89.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.68 -46.96 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.556 ' HE2' ' CE3' ' A' ' 111' ' ' TRP . 4.8 mtt -64.4 -63.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -40.95 -53.77 3.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -60.1 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.38 -17.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.57 -39.53 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.105 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.745 0.307 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.455 ' HD3' ' CD2' ' A' ' 52' ' ' PHE . 12.1 tpt85 -106.25 133.92 50.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -123.95 138.97 31.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.704 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -27.86 25.95 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.71 -36.75 83.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.7 122.51 82.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 130.97 20.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.482 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 67.1 t -58.92 112.22 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.461 ' CG2' HD21 ' A' ' 46' ' ' LEU . 25.6 m -62.23 -57.86 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 30.4 tttp -155.86 136.58 13.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB3' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.92 131.28 44.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -166.48 158.24 31.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.443 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 68.3 m95 -83.76 102.71 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -112.79 171.35 7.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 12.9 m-85 -109.91 122.57 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -96.55 106.55 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -45.97 145.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -110.32 124.3 51.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -111.65 133.98 53.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -91.94 125.16 36.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -137.17 158.57 44.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CZ2' ' HB3' ' A' ' 25' ' ' ALA . 48.3 t-105 -73.04 113.99 10.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.436 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.4 m-85 -100.46 143.58 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.3 t -148.12 128.23 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.461 HD21 ' CG2' ' A' ' 23' ' ' THR . 22.0 tp -103.28 112.98 26.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 15.8 t -142.46 133.79 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 47' ' ' VAL . 3.4 t0 63.93 54.99 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 44.59 29.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.4 m -138.65 163.51 31.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.436 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.5 tt -109.55 139.65 44.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.455 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 48.5 m-85 -137.17 119.35 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.6 p90 -106.56 120.34 41.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.402 ' CE2' HG12 ' A' ' 62' ' ' ILE . 79.2 m-85 -108.67 157.38 18.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -51.62 -42.22 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -150.95 -177.31 5.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.9 -24.01 65.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -54.27 -40.77 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 60.55 47.68 8.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.48 -54.47 45.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -146.75 141.36 26.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.416 HD13 ' CB ' ' A' ' 16' ' ' ARG . 78.3 mt -63.96 131.29 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 39.7 mt -87.78 -38.29 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.26 130.29 1.66 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.426 ' C ' HG13 ' A' ' 66' ' ' ILE . 82.6 p -99.2 147.62 24.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 98' ' ' TYR . 11.1 mt -138.99 120.82 10.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.598 0.713 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 136.8 33.81 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.318 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 70' ' ' SER . 59.7 mt -119.52 -25.72 5.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 tp -46.8 -19.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 68' ' ' LEU . 74.6 m -107.17 -21.83 12.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 25.5 m-85 -86.94 164.6 16.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -126.45 90.0 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.0 t -63.3 146.52 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.47 136.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.84 162.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.402 HG12 ' CG2' ' A' ' 87' ' ' THR . 4.1 m -74.58 -177.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -130.85 159.75 69.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 1.36 4.46 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.6 p -101.27 -26.41 13.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -67.97 155.85 38.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -87.55 50.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.0 mm -105.16 131.83 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -80.08 -53.22 6.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -50.05 162.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -96.63 -69.24 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.416 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 6.4 m-70 -74.33 82.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.476 HG21 ' N ' ' A' ' 88' ' ' PHE . 88.4 m -131.99 156.16 46.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -146.73 131.53 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -114.79 148.33 38.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -121.49 140.08 52.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.441 ' C ' ' CD2' ' A' ' 71' ' ' PHE . 3.2 pt-20 -139.67 153.37 47.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.576 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 1.7 t-160 -103.98 -75.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 92' ' ' HIS . . . -175.94 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 44.14 46.28 8.06 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.41 ' CG2' ' H ' ' A' ' 96' ' ' ARG . 5.8 m -132.64 -57.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.578 ' HD3' ' CE2' ' A' ' 98' ' ' TYR . 2.5 ptm85 -172.06 166.56 6.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.9 m -134.54 106.84 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.578 ' CE2' ' HD3' ' A' ' 96' ' ' ARG . 91.8 m-85 -78.58 154.41 30.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 49.8 m-85 -135.3 136.35 41.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 16.4 m-85 -140.43 134.33 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 p -112.71 156.9 22.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . -131.36 123.61 28.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.08 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.9 mm-40 -36.2 -53.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 m -111.94 161.58 25.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.726 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.416 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.79 -18.7 36.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -72.54 -41.14 66.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.89 -45.3 78.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -53.87 -58.93 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.8 pt-20 -56.89 -48.63 77.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.03 -42.69 76.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.529 ' CE3' ' HE1' ' A' ' 115' ' ' MET . 33.0 m95 -61.31 -54.39 44.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 116' ' ' GLY . 92.3 mt -48.54 -41.39 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -50.57 -49.4 56.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.68 -55.72 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.529 ' HE1' ' CE3' ' A' ' 111' ' ' TRP . 4.6 mtt -56.45 -61.03 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -49.52 -53.0 22.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -56.18 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.75 -16.8 7.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 71' ' ' PHE . . . -93.41 -39.98 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.761 0.315 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.9 ttp85 -103.48 121.45 42.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -51.36 143.26 18.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.86 37.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -115.96 38.29 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.78 125.85 31.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.703 . . . . 0.0 111.144 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 134.75 28.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.304 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.459 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 7.6 p -71.33 113.51 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 46' ' ' LEU . 19.5 m -63.74 -52.92 58.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.561 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 35.3 tttp -154.01 143.97 21.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . . . -132.59 140.62 48.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.55 142.48 4.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.521 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.6 m95 -73.33 111.05 8.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.8 mt -114.45 172.25 7.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 41' ' ' LYS . 23.5 m-85 -120.37 115.39 23.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -95.01 110.25 22.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -48.54 147.13 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -104.95 126.41 51.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -104.9 118.27 36.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 27.1 tttt -81.33 124.39 29.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -144.95 157.34 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 37.7 t-105 -71.61 115.14 10.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.07 138.66 37.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.3 t -141.05 129.57 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' THR . 18.5 tp -103.41 113.37 26.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 48' ' ' ASP . 62.3 t -140.27 138.91 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.462 ' N ' HG12 ' A' ' 47' ' ' VAL . 15.4 t0 55.54 54.28 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 45.92 28.5 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 84.0 m -134.71 160.18 38.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tt -106.14 135.22 47.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -136.34 119.52 16.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -107.01 128.11 54.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.453 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 89.2 m-85 -109.45 140.2 43.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -38.43 -39.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -151.7 -176.45 5.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -80.75 42.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -103.74 -24.81 13.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 52.35 52.29 14.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -97.14 -57.52 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.1 t -140.5 139.69 35.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.453 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 89.8 mt -78.19 120.77 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.178 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.0 mt -71.39 -43.45 66.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.79 139.1 5.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.435 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 m -108.96 147.12 32.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.419 HD13 ' CZ ' ' A' ' 98' ' ' TYR . 64.6 mt -139.97 121.25 9.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.672 0.749 . . . . 0.0 111.073 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 119.63 6.55 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.7 mt -90.91 -25.64 19.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.414 ' H ' ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -57.97 -11.46 2.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.491 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 7.5 p -118.4 34.35 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -141.34 169.21 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -127.82 79.53 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.1 t -55.41 147.3 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -172.35 160.49 4.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.89 156.96 30.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 m -76.36 157.31 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -95.5 157.85 35.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 1.3 4.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.39 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.1 m -123.75 28.03 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.29 172.76 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -90.86 47.54 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.2 mm -123.85 108.26 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.6 m -60.78 -43.24 98.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -61.15 138.55 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -77.84 -66.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.4 m-70 -74.06 81.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 88' ' ' PHE . 54.8 m -133.61 158.53 42.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.465 ' N ' HG23 ' A' ' 87' ' ' THR . 10.7 p90 -153.41 131.12 11.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -115.69 148.72 39.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -111.23 137.22 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -129.21 149.33 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 92' ' ' HIS . 8.2 t-80 -114.95 -1.29 13.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 49.42 41.4 20.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.16 -39.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 88.6 t -104.99 -69.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.569 ' HD2' ' CE2' ' A' ' 98' ' ' TYR . 4.3 ptp180 -166.43 -176.92 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.2 m -130.3 107.46 9.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.569 ' CE2' ' HD2' ' A' ' 96' ' ' ARG . 33.8 m-85 -83.06 157.08 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 22.8 m-85 -123.03 148.94 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 98' ' ' TYR . 27.1 m-85 -154.29 120.43 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.4 t -107.9 163.58 13.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.12 138.98 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.48 -51.73 44.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 m -112.54 159.15 35.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.423 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 54.0 Cg_endo -69.73 -26.34 27.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.88 -39.4 90.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.09 -39.35 65.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -56.11 -60.57 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.9 pt-20 -56.82 -46.69 81.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.17 -50.95 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.561 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.7 m95 -55.53 -44.81 77.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 116' ' ' GLY . 83.1 mt -58.16 -37.18 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -55.25 -48.12 74.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.85 -53.17 7.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.063 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.541 ' HE3' ' CE3' ' A' ' 111' ' ' TRP . 5.5 mtt -61.96 -61.64 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -42.92 -48.12 6.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.53 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.54 -22.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 120' ' ' ARG . . . -77.65 -37.67 49.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 119' ' ' ALA . 22.6 ptt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.761 0.315 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.494 ' HD3' ' CD2' ' A' ' 52' ' ' PHE . 8.6 tpt180 -117.62 137.75 52.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -112.6 139.01 22.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.734 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -33.9 15.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -63.18 -40.01 96.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.69 125.51 82.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 130.41 19.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.468 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 4.8 p -61.91 117.09 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 m -66.65 -60.54 2.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 25.7 tttp -147.91 135.27 20.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.535 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -131.89 131.25 42.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 146.69 9.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 82.9 m95 -71.54 105.3 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.8 mt -106.99 174.65 5.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 2.6 m-85 -120.93 111.79 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -92.41 128.41 38.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.409 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 5.9 tt0 -68.71 142.84 54.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.808 0.337 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.47 ' CD1' ' HD2' ' A' ' 84' ' ' ARG . 49.7 m95 -73.65 125.14 27.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -104.35 109.85 21.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 15.9 tttm -65.84 122.26 16.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -141.01 162.19 36.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 33.4 t-105 -77.08 115.31 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -100.64 136.77 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.1 t -139.54 127.08 25.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.8 tp -103.3 113.3 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 34.8 t -141.41 133.8 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.427 ' N ' HG11 ' A' ' 47' ' ' VAL . 3.3 m-20 61.4 54.76 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.9 mtm-85 45.14 27.45 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.9 t -133.86 151.45 51.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 52' ' ' PHE . 3.6 tt -99.12 135.96 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 30.4 m-85 -136.77 119.38 16.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 33.2 p90 -110.96 124.32 51.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -112.93 150.21 32.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' N ' HD13 ' A' ' 63' ' ' LEU . 21.7 pttp -48.77 -35.27 13.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -144.41 -175.12 4.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -81.43 41.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -99.59 -40.14 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 60.24 48.12 8.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -101.59 -64.86 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 p -110.82 123.74 50.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.7 mt -72.45 123.79 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 75.9 mt -81.68 -43.78 18.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.11 125.05 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.465 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 p -105.22 138.77 40.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.45 HG22 ' CE2' ' A' ' 98' ' ' TYR . 23.8 mt -138.48 120.23 10.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.728 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 126.86 13.85 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.318 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.6 mt -95.96 -30.9 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.414 ' CD2' ' H ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -53.13 -15.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 12.9 m -117.38 30.02 7.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -134.92 176.93 8.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 91' ' ' GLU . 47.1 ttt85 -133.44 82.33 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.9 t -56.98 144.93 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.03 143.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.3 167.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.411 HG13 ' CG2' ' A' ' 87' ' ' THR . 4.3 m -88.22 158.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -98.76 158.21 32.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.703 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.86 3.16 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.722 2.281 . . . . 0.0 112.296 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.3 t -134.94 34.82 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -110.66 13.71 22.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 13.3 t-20 62.49 38.23 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.5 mm -102.3 103.51 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.3 p -83.68 40.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 39' ' ' TRP . 27.8 mtp85 -150.56 146.94 26.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -100.08 147.6 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.42 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 6.4 m-70 71.36 52.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.472 HG21 ' N ' ' A' ' 88' ' ' PHE . 53.2 m -119.42 155.93 31.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.472 ' N ' HG21 ' A' ' 87' ' ' THR . 13.1 p90 -145.97 131.29 18.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.488 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -113.97 145.99 40.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -103.87 147.04 27.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 72' ' ' ARG . 1.1 tt0 -142.31 135.18 28.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 70' ' ' SER . 6.7 t-160 -100.03 -20.23 16.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 70.84 28.59 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.56 -33.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 94.9 t -107.46 -64.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.516 ' HD2' ' CZ ' ' A' ' 98' ' ' TYR . 15.3 ptp180 -172.92 -179.34 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 92.6 m -125.36 109.63 13.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.516 ' CZ ' ' HD2' ' A' ' 96' ' ' ARG . 68.1 m-85 -82.38 159.39 23.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.488 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 59.2 m-85 -125.98 150.52 47.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 52.6 m-85 -156.19 116.4 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.4 t -95.47 161.56 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.76 135.47 45.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -51.85 -54.64 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.7 m -116.33 160.55 35.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.8 -28.63 24.82 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -63.6 -31.32 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.13 -43.97 18.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -52.24 -56.27 15.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.53 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 8.4 pt-20 -60.37 -50.51 73.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.53 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -52.85 -44.48 66.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.554 ' CE3' ' HE3' ' A' ' 115' ' ' MET . 38.1 m95 -62.16 -55.77 25.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.1 mt -45.72 -40.17 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -55.59 -45.5 77.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.84 -55.06 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.554 ' HE3' ' CE3' ' A' ' 111' ' ' TRP . 4.1 mtt -61.38 -61.26 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -43.31 -55.11 5.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -55.8 30.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.08 -15.59 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.49 -41.22 15.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.857 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 10.2 tpt180 -138.48 155.05 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.438 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 35.9 m-80 -131.68 142.47 45.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -38.22 7.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.252 . . . . 0.0 112.364 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -61.92 -41.09 97.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.95 122.95 24.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 130.6 19.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.417 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 7.1 p -64.96 117.05 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.7 m -65.11 -60.0 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 41.3 tttp -152.74 132.22 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.57 138.68 48.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.11 150.67 12.54 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.488 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.3 m95 -70.61 104.61 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 44' ' ' PHE . 15.6 mt -104.9 178.27 4.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -122.73 103.27 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -77.33 158.23 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 6.5 tt0 -106.36 134.51 49.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.492 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 57.3 m95 -45.36 159.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -139.93 111.25 7.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -64.43 120.57 12.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -143.44 154.88 44.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.493 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 49.3 t-105 -73.33 119.84 18.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.1 m-85 -102.59 137.83 40.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -139.08 128.82 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.3 tp -103.24 113.21 26.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 48' ' ' ASP . 47.0 t -140.69 134.57 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.464 ' N ' HG12 ' A' ' 47' ' ' VAL . 6.1 m-20 59.07 54.88 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 45.51 27.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 97.3 m -131.53 159.11 39.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.511 HD21 ' CD2' ' A' ' 44' ' ' PHE . 2.9 tt -105.76 134.05 49.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.446 ' N ' HD22 ' A' ' 51' ' ' LEU . 53.3 m-85 -135.98 119.47 16.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 28.4 p90 -108.98 125.88 52.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.555 ' CE2' HG12 ' A' ' 62' ' ' ILE . 52.8 m-85 -114.77 138.15 51.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -38.35 -37.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.418 ' HB2' ' CG ' ' A' ' 58' ' ' LYS . 18.2 m-20 -146.24 173.47 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.493 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 38.2 mt-10 -60.92 -27.63 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -46.92 -39.77 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.484 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 27.2 mt-10 61.25 42.59 11.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -62.74 -56.1 20.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -138.6 137.85 37.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.555 HG12 ' CE2' ' A' ' 54' ' ' TYR . 89.6 mt -67.9 125.23 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 26.6 mt -78.77 -42.04 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.77 130.63 2.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.42 ' C ' HG13 ' A' ' 66' ' ' ILE . 19.5 p -99.69 148.83 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.846 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 65' ' ' SER . 47.7 mt -144.81 116.96 5.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 53.7 Cg_endo -69.84 122.69 9.34 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.318 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -94.73 -31.43 13.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.482 ' N ' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -54.37 -12.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.419 ' N ' HD21 ' A' ' 69' ' ' LEU . 32.5 p -123.29 41.02 3.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 67' ' ' PRO . 14.6 m-85 -143.8 -179.3 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -134.63 88.87 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.4 142.85 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.84 151.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' VAL . . . -62.05 141.91 57.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.427 HG12 ' CG2' ' A' ' 87' ' ' THR . 3.3 m -48.46 178.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -106.11 163.73 16.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 119.95 6.82 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t 75.0 40.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.24 18.21 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.4 m120 62.48 35.73 14.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 84' ' ' ARG . 28.0 mm -113.98 97.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' ILE . 17.4 m -38.24 -44.23 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 82' ' ' ILE . 36.3 mtp85 -65.51 175.56 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -116.98 -67.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.419 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.7 m-70 -72.49 83.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 88' ' ' PHE . 53.5 m -128.31 155.66 44.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 7.6 p90 -146.45 131.06 17.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -120.92 145.53 47.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.429 ' O ' ' CG2' ' A' ' 97' ' ' THR . . . -103.64 154.76 19.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -151.0 132.7 14.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -101.35 -16.09 17.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 69.05 48.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.3 -27.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.74 -65.2 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.098 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.489 ' HD3' ' CZ ' ' A' ' 98' ' ' TYR . 9.8 ptm180 -175.24 -178.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 32.2 m -127.44 104.29 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.489 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 48.9 m-85 -79.42 155.5 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 16.9 m-85 -123.71 147.55 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 34.6 m-85 -155.25 124.26 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.3 t -109.9 169.63 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -134.79 132.72 39.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.78 -19.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 m -145.96 159.06 47.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.79 -35.18 13.03 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -58.96 -34.58 71.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -77.54 -40.53 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.74 -52.25 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.2 pt-20 -61.27 -49.65 76.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.51 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.21 -47.46 78.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.539 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 30.2 m95 -55.82 -47.74 76.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 116' ' ' GLY . 96.7 mt -57.74 -41.28 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -52.07 -46.51 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.02 -54.66 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 4.9 mtt -61.87 -59.98 4.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -43.81 -51.98 6.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.78 -53.67 43.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.19 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.77 -49.82 42.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 17.8 ttt-85 -122.59 150.1 43.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.401 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 51.9 m-80 -102.48 139.73 20.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -41.0 4.65 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -59.62 -41.45 90.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.16 133.84 16.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.068 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 140.38 42.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.452 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 53.5 t -76.79 111.74 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.447 ' CG2' HD21 ' A' ' 46' ' ' LEU . 2.3 m -61.41 -56.57 18.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.514 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 31.1 tttp -159.12 142.66 14.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.42 144.14 49.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.91 150.27 7.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -74.58 109.63 8.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.813 0.34 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -111.85 176.79 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -115.8 120.04 37.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -96.41 118.54 33.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 5.7 tt0 -56.83 136.89 55.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.914 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.74 0.305 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 84' ' ' ARG . 53.5 m95 -123.64 137.28 54.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -111.46 114.83 28.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -71.64 114.82 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -133.38 169.13 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.507 ' NE1' ' CG2' ' A' ' 45' ' ' VAL . 66.9 t-105 -83.12 119.46 24.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -105.09 138.43 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG2' ' NE1' ' A' ' 43' ' ' TRP . 88.5 t -140.26 128.53 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.447 HD21 ' CG2' ' A' ' 23' ' ' THR . 38.6 tp -103.94 114.2 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 3.9 t -144.16 130.63 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 t0 65.83 54.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 45.45 27.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 68.3 m -135.89 158.33 44.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 3.0 tt -104.16 143.12 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 47.4 m-85 -139.52 119.23 13.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 13.9 p90 -107.31 118.32 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.565 ' CD2' ' HA ' ' A' ' 59' ' ' GLU . 88.1 m-85 -104.22 179.46 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.467 ' N ' HD11 ' A' ' 63' ' ' LEU . 16.6 pttm -80.2 -31.29 38.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -156.57 179.79 8.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.82 -14.89 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 59' ' ' GLU . 41.6 mttp -72.66 -25.14 61.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.565 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 0.2 OUTLIER 32.82 54.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.55 -63.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -124.72 132.17 53.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.9 mt -58.3 115.31 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.467 HD11 ' N ' ' A' ' 55' ' ' LYS . 28.2 mt -74.51 -38.55 62.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.466 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -170.29 119.62 0.82 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.417 ' C ' HG13 ' A' ' 66' ' ' ILE . 12.4 t -91.32 160.96 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.513 HD11 ' CE2' ' A' ' 98' ' ' TYR . 73.8 mt -148.22 115.94 4.0 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 105.8 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.725 2.284 . . . . 0.0 112.33 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 51' ' ' LEU . 91.0 mt -83.65 -30.25 27.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 tp -50.03 -16.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 36.4 t -118.14 33.14 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 92' ' ' HIS . 21.9 m-85 -141.4 165.02 28.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -126.33 95.09 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.7 t -69.94 128.52 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.11 135.22 13.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.82 159.39 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.97 178.57 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.494 ' NE2' ' HD2' ' A' ' 78' ' ' PRO . 2.7 mm100 -107.09 165.15 13.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.494 ' HD2' ' NE2' ' A' ' 77' ' ' GLN . 53.5 Cg_endo -69.83 -12.86 33.61 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 m -128.04 53.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -117.24 169.1 9.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -83.15 49.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.2 mm -133.36 90.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t -44.85 -38.9 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 39' ' ' TRP . 50.6 mtt85 -60.6 171.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -109.91 -66.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -74.18 79.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 88' ' ' PHE . 18.5 m -130.73 153.15 49.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 8.7 p90 -144.89 131.29 19.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -122.4 137.03 55.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -100.71 120.03 39.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -106.78 138.88 42.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 70' ' ' SER . 7.6 t-80 -132.84 78.46 1.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -34.97 93.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 151.79 -26.87 0.93 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.517 HG22 ' CE1' ' A' ' 92' ' ' HIS . 92.6 t -127.61 -75.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.117 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -169.1 -175.92 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 60.3 m -125.45 109.51 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.513 ' CE2' HD11 ' A' ' 66' ' ' ILE . 58.9 m-85 -78.82 151.25 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 12.3 m-85 -123.34 138.93 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 29.3 m-85 -140.79 125.08 17.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t -110.09 147.02 34.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.29 151.19 37.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.58 -41.11 89.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m -125.51 158.98 62.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.749 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -21.21 33.56 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.289 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -71.16 -35.75 71.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -77.81 -40.3 40.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -57.52 -59.55 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.0 pt-20 -55.07 -47.96 74.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.487 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -58.35 -45.13 88.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TRP . . . . . 0.514 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 26.4 m95 -58.46 -41.87 86.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 116' ' ' GLY . 97.4 mt -62.07 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -47.22 -43.79 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.06 -53.38 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 119' ' ' ALA . 6.2 mtt -59.51 -63.89 1.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.71 -48.26 9.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.12 -32.71 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.71 -12.75 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 115' ' ' MET . . . -97.72 -25.06 15.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.918 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -154.23 113.86 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.819 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -92.81 177.83 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.75 -179.74 16.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p 43.77 42.14 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.1 p -117.42 -50.69 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.64 152.88 26.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.14 52.94 0.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -173.92 143.01 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.7 112.69 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.1 t -98.51 -47.87 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -129.86 140.42 51.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -122.56 92.9 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 97.0 mmm -122.29 136.33 54.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -167.09 146.73 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.434 ' HG3' ' CG1' ' A' ' 47' ' ' VAL . 59.8 ttt180 -66.79 108.55 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -50.31 144.64 11.37 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -25.17 28.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -112.32 38.06 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.434 ' HB1' ' CG1' ' A' ' 47' ' ' VAL . . . -111.75 126.07 29.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.566 0.698 . . . . 0.0 111.108 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 131.26 20.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 7.1 p -65.68 117.15 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.457 ' CG2' HD23 ' A' ' 46' ' ' LEU . 18.9 m -67.21 -60.58 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.548 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 39.7 tttp -153.22 138.46 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.65 143.79 49.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.46 146.05 6.9 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.4 m95 -70.72 117.78 12.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.8 0.333 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 111' ' ' TRP . 20.5 mt -123.94 168.75 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -108.9 114.23 27.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -94.06 119.18 32.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.93 147.52 33.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.42 166.77 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.5 p -62.96 160.93 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.0 t -42.08 -34.05 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.21 -99.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.4 p -69.29 136.58 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 111.18 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -95.99 100.01 11.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -171.72 172.25 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -113.18 146.28 39.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -125.6 103.81 8.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -64.83 125.86 26.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -142.98 168.76 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.59 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 45.1 t-105 -88.55 117.74 27.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -100.81 139.77 36.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 65.2 t -141.18 129.14 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.457 HD23 ' CG2' ' A' ' 23' ' ' THR . 19.4 tp -103.79 113.53 27.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 32.4 t -140.99 138.1 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 58.1 54.11 6.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 45.64 29.07 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 87.1 m -136.42 155.01 50.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 tt -100.91 138.31 38.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -140.07 119.72 13.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -107.82 129.93 55.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -113.23 153.86 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -54.76 -32.26 59.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -153.82 176.66 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.52 -12.94 36.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -60.16 -35.4 75.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 58.81 44.34 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.53 -58.71 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -149.29 142.93 25.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 92.9 mt -65.81 118.97 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.6 mt -79.89 -44.1 21.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.37 137.17 5.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.0 m -116.3 144.96 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.564 HD13 ' CE1' ' A' ' 98' ' ' TYR . 17.3 mt -139.49 121.17 9.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.57 4.62 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.8 mt -90.18 -24.82 20.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.46 -11.79 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.1 m -121.5 40.06 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -145.68 167.01 24.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -126.6 79.0 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.3 t -52.08 145.17 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.65 138.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.059 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.08 135.61 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.3 m -48.13 148.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -66.25 157.61 80.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 0.28 5.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.2 p -126.93 16.72 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -61.48 175.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -109.52 36.4 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.7 mm -110.67 119.23 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -62.83 -48.68 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -65.2 145.72 55.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -93.38 176.11 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.411 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 9.3 m-70 54.61 53.6 10.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.461 HG21 ' N ' ' A' ' 88' ' ' PHE . 88.6 m -109.93 156.35 20.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -143.88 134.91 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.512 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -125.69 148.09 49.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -115.3 134.82 54.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -128.11 142.91 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 92' ' ' HIS . 7.7 t-80 -108.34 -2.16 19.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 52.44 47.32 24.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -177.94 -40.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 79.4 t -100.34 -65.81 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 111.16 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -172.14 -178.42 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.9 m -127.76 109.83 12.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.564 ' CE1' HD13 ' A' ' 66' ' ' ILE . 39.6 m-85 -82.75 162.62 21.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 12.7 m-85 -136.22 151.76 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 42.9 m-85 -155.92 117.08 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 t -92.91 157.96 16.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.14 138.21 46.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.23 -50.61 73.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -113.07 154.04 45.18 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.677 0.751 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.1 Cg_endo -69.77 -17.51 37.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -74.17 -37.79 63.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -71.16 -45.56 63.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -54.23 -58.9 5.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.4 pt-20 -53.82 -48.82 69.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.34 -44.53 80.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.548 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 32.5 m95 -60.0 -46.06 90.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.5 mt -58.35 -33.86 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -58.43 -44.02 88.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.81 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.402 ' HE1' ' CE3' ' A' ' 111' ' ' TRP . 5.8 mtt -63.23 -57.42 10.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -48.19 -49.92 23.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.53 -56.85 7.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.93 -24.68 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.28 -49.51 27.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -38.51 144.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.0 t -102.48 -23.13 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 p -90.29 -53.61 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.921 0.391 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -155.18 140.81 17.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.55 60.6 0.47 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -65.25 134.32 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 p -141.09 136.66 32.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.45 -115.79 0.78 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.03 156.98 44.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -69.33 -56.0 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -115.3 -50.95 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 t -154.72 138.48 16.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -85.13 -54.28 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.4 p -113.63 149.92 33.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 85.2 mmm -80.72 128.63 33.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -143.03 143.75 32.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.569 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 24.5 ttt180 -87.63 134.84 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -91.08 142.22 27.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -39.02 7.0 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -60.97 -41.31 96.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.45 132.3 53.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.582 0.706 . . . . 0.0 111.073 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 132.32 22.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.467 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 7.5 p -67.94 116.16 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.44 HG22 ' CD2' ' A' ' 46' ' ' LEU . 26.7 m -64.6 -56.95 10.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.562 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 21.5 tttp -152.03 136.18 16.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.15 137.39 51.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.053 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.5 149.53 9.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.523 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 69.9 m95 -72.38 108.55 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.1 mt -111.81 173.41 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 4.3 m-85 -120.85 131.4 54.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -109.0 118.67 37.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.452 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 8.6 tt0 -48.94 148.75 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.88 128.8 37.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.0 m -90.54 125.69 35.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.2 t 41.64 44.24 2.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.64 176.68 23.64 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.1 p -53.31 148.24 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 111.166 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -54.77 111.17 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -170.13 174.44 5.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.452 ' CZ2' ' HG3' ' A' ' 31' ' ' GLN . 69.1 m95 -137.24 113.65 10.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -86.04 127.13 34.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 11.3 tttp -88.6 125.74 34.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -142.92 158.64 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 53.2 t-105 -75.5 116.36 16.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.413 ' CD2' HD23 ' A' ' 51' ' ' LEU . 3.6 m-85 -100.58 137.15 39.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.42 129.6 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.44 ' CD2' HG22 ' A' ' 23' ' ' THR . 23.5 tp -103.39 113.66 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 23.4 t -141.21 132.49 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 t70 60.34 54.77 3.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 46.07 25.57 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.1 m -129.68 156.11 44.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 3.3 tt -106.33 130.82 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 42.3 m-85 -133.5 119.34 19.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 48.0 p90 -107.3 125.12 50.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.978 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.475 ' CE2' HG12 ' A' ' 62' ' ' ILE . 76.8 m-85 -108.29 143.0 37.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -43.91 -34.01 1.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -143.2 -175.41 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -83.37 41.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -101.11 -31.33 11.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.464 ' HA ' ' CG ' ' A' ' 54' ' ' TYR . 41.2 mt-10 54.5 51.06 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -115.32 -61.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -105.56 115.95 31.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.475 HG12 ' CE2' ' A' ' 54' ' ' TYR . 32.7 mt -78.94 121.89 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.559 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 38.6 mt -81.6 -39.4 24.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.418 ' HA3' ' CE1' ' A' ' 53' ' ' TYR . . . -155.4 139.44 6.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -121.95 143.54 49.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 19.8 mt -140.11 120.4 9.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.089 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 96.81 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 51' ' ' LEU . 84.5 mt -67.8 -31.41 71.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 tp -50.89 -16.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.576 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 4.5 m -117.29 37.86 3.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -142.13 174.71 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -133.07 90.77 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 13.4 t -68.42 139.35 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.07 139.02 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.08 141.68 49.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 87' ' ' THR . 6.1 m -57.41 -176.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.423 ' CD ' ' HD2' ' A' ' 78' ' ' PRO . 2.1 mm100 -110.62 161.99 22.45 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 77' ' ' GLN . 53.7 Cg_endo -69.77 -4.84 14.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.1 t -133.11 31.96 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -89.94 167.95 12.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -84.83 52.99 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.4 mm -133.61 103.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 t -45.12 -46.61 11.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.7 mtt85 -61.97 175.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -113.0 -62.14 1.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.418 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 10.1 m-70 -74.3 71.91 1.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.431 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 16.7 m -128.53 146.75 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 3.8 p90 -138.03 139.23 39.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -122.58 145.81 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -104.18 128.23 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -119.0 131.54 56.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 70' ' ' SER . 10.9 t-160 -100.58 -15.41 17.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 59.3 41.06 20.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -164.54 -33.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.8 t -117.72 -65.47 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.43 ' N ' ' CD ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -168.37 -179.9 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 43.4 m -126.58 112.99 16.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -85.23 153.0 22.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 18.7 m-85 -121.0 145.51 47.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 39.2 m-85 -147.43 118.61 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -91.92 165.63 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.799 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -139.58 131.95 28.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -50.2 -52.9 31.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 m -116.59 159.33 40.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.695 0.759 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.418 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.7 Cg_endo -69.76 -26.49 27.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.59 -34.31 77.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -77.44 -39.85 45.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -56.42 -53.06 61.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.5 pt-20 -62.04 -48.63 79.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.493 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.28 -45.08 80.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.562 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 33.1 m95 -59.72 -44.65 93.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.25 -43.54 90.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -50.75 -44.22 58.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.65 -57.04 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.404 ' HE3' ' CE3' ' A' ' 111' ' ' TRP . 7.1 mtt -56.69 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -37.94 -53.69 1.99 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -65.13 -53.73 40.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.76 -13.46 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.6 -38.35 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -75.35 143.9 42.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.6 t -103.06 84.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m -156.0 142.69 18.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.829 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -158.17 116.17 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.58 106.03 1.64 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -93.49 110.1 21.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.1 p -85.49 169.69 13.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.812 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.46 -149.8 10.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.39 128.18 3.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.529 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -70.69 -48.1 56.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.6 mtt85 -108.69 99.2 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.8 p -80.78 137.02 36.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -74.01 -47.71 35.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 t -173.67 156.31 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 98.5 mmm -59.49 118.47 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.02 157.22 40.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HD2' ' CD2' ' A' ' 52' ' ' PHE . 21.1 ttt-85 -116.97 145.23 43.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -108.74 142.7 26.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.941 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -38.18 8.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.58 -39.86 92.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.82 133.7 28.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.692 . . . . 0.0 111.089 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 130.92 20.18 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.466 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 99.2 t -66.93 116.27 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.449 HG23 ' CD2' ' A' ' 46' ' ' LEU . 24.9 m -64.84 -63.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.554 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 32.0 tttp -155.25 133.54 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB3' ' CZ2' ' A' ' 43' ' ' TRP . . . -131.14 140.54 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.071 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.9 152.57 14.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.502 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 91.6 m95 -72.58 111.87 8.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -118.48 172.82 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -115.35 114.7 25.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -99.12 108.66 21.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.457 ' HG3' ' CE2' ' A' ' 39' ' ' TRP . 3.7 tt0 -56.99 130.42 45.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.14 150.16 38.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.8 t -117.52 -62.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 t -84.49 84.27 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.81 -152.66 24.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.81 138.09 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 111.144 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -66.91 97.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -162.56 165.15 26.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.457 ' CE2' ' HG3' ' A' ' 31' ' ' GLN . 63.1 m95 -101.36 133.93 45.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -108.64 107.08 17.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 53.3 tttt -72.31 119.93 17.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.0 mmt-85 -140.87 159.38 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 38.6 t-105 -74.27 116.89 15.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -101.68 137.99 39.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.3 t -139.46 129.11 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' ' 23' ' ' THR . 18.9 tp -103.72 114.06 28.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 20.5 t -140.94 132.42 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t70 63.17 53.2 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 46.83 29.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 4.6 t -136.03 152.85 51.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 tt -99.34 137.81 37.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.564 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 38.1 m-85 -138.93 119.21 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.431 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 19.8 p90 -107.14 124.33 49.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.539 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 79.0 m-85 -104.29 160.9 14.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 pttt -58.2 -38.86 77.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -150.36 178.62 8.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -61.19 -14.17 23.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -65.18 -29.59 70.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.539 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 27.8 mt-10 52.49 46.6 26.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.04 -53.94 48.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -150.41 137.59 19.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.4 mt -64.94 116.14 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 78.2 mt -72.99 -39.64 65.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.47 142.74 8.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -114.72 151.81 33.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.431 HD12 ' CE2' ' A' ' 98' ' ' TYR . 71.8 mt -145.62 117.0 5.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 123.29 9.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.401 ' C ' ' HA ' ' A' ' 119' ' ' ALA . 64.6 mt -96.12 -23.79 16.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.2 tp -53.73 -14.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -104.17 -26.14 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 92' ' ' HIS . 17.9 m-85 -86.27 168.45 13.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 73' ' ' VAL . 13.0 ptt180 -130.24 70.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' ARG . 95.3 t -36.56 149.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.02 127.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.03 146.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.9 m -57.87 167.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -102.0 157.9 32.81 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.68 3.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 m -127.3 25.2 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -97.88 161.27 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -86.26 38.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.9 mm -112.28 84.84 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 t -49.82 -44.61 49.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -50.86 154.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.419 ' HD3' ' NE2' ' A' ' 86' ' ' HIS . 3.7 ptpt -103.91 163.74 12.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.419 ' NE2' ' HD3' ' A' ' 85' ' ' LYS . 3.9 m-70 52.57 50.93 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.464 HG21 ' N ' ' A' ' 88' ' ' PHE . 51.6 m -115.07 148.92 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -139.63 138.88 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -119.02 146.96 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -109.89 120.61 43.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -107.47 138.26 44.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.524 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 6.6 t-160 -134.55 78.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -33.4 93.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 152.62 -31.61 0.84 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.28 -75.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.109 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -171.83 -174.98 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.9 m -122.08 107.85 12.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.431 ' CE2' HD12 ' A' ' 66' ' ' ILE . 31.3 m-85 -79.93 154.81 28.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 24.7 m-85 -124.06 145.42 49.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -147.74 117.9 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 t -96.88 162.77 13.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -136.14 133.37 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.83 -50.2 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 m -118.7 158.27 47.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.413 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.6 Cg_endo -69.74 -17.72 37.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -71.57 -35.91 70.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.81 -47.12 22.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -51.26 -63.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.6 pt-20 -53.45 -49.66 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.514 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -57.31 -36.26 70.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.554 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 31.0 m95 -67.5 -48.15 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.0 mt -55.8 -38.84 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -53.09 -46.74 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.98 -55.01 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 4.2 mtt -58.41 -62.5 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -39.74 -50.69 3.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.28 -56.9 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.4 -24.72 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.401 ' HA ' ' C ' ' A' ' 68' ' ' LEU . . . -83.07 -41.45 18.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -39.17 158.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 t -97.49 -16.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -155.59 168.87 25.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -123.45 141.37 52.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.15 63.67 0.56 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -158.19 115.17 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 t -152.6 150.94 30.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.3 -93.97 0.1 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.74 156.27 16.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -161.18 140.4 10.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -57.14 122.7 13.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.0 t -63.91 102.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -120.86 -56.79 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.4 m -109.67 131.87 54.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.0 mmm -108.97 116.87 32.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -127.63 160.63 31.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HB2' ' CD2' ' A' ' 52' ' ' PHE . 10.7 ttt180 -101.84 116.16 32.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -67.18 141.89 96.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.651 0.739 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.54 5.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -60.51 -40.77 92.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.17 129.02 40.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.543 0.687 . . . . 0.0 111.148 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.16 20.67 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.722 2.282 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.466 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 7.6 p -69.15 114.07 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 m -59.86 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.561 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 9.1 tttm -146.24 145.24 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.486 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . . . -133.75 138.55 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.75 141.98 5.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.552 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 62.5 m95 -71.45 107.73 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.0 mt -113.93 178.63 4.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.509 ' CZ ' ' HG3' ' A' ' 41' ' ' LYS . 19.6 m-85 -120.29 136.73 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -113.8 121.6 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.68 139.2 56.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.41 -74.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.5 t -169.0 -176.44 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' GLY . 96.5 p -53.89 -35.8 61.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -33.88 -91.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.547 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.459 ' O ' ' C ' ' A' ' 37' ' ' LYS . 33.7 m -111.68 9.2 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 36' ' ' VAL . 3.4 ptpt 32.73 54.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -74.49 -174.99 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.664 ' CD1' ' CZ ' ' A' ' 84' ' ' ARG . 88.8 m95 -143.61 105.01 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -95.17 106.26 18.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 35.6 tttt -59.76 123.76 17.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -145.06 154.12 42.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.552 ' CE3' ' CD1' ' A' ' 27' ' ' TRP . 49.0 t-105 -72.77 121.13 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -103.83 146.05 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -147.74 128.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.1 tp -103.31 113.18 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 36.9 t -141.36 133.69 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' N ' HG11 ' A' ' 47' ' ' VAL . 10.7 t70 57.61 54.96 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 45.7 27.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 52.8 m -132.83 149.02 52.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 3.8 tt -101.4 129.24 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.516 ' CD2' ' HB2' ' A' ' 16' ' ' ARG . 30.1 m-85 -130.93 119.56 22.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 40.2 p90 -106.66 125.76 51.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.461 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 96.5 m-85 -110.72 147.08 35.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -54.36 -29.21 47.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 4.0 p30 -146.53 167.26 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.23 -13.05 46.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -59.02 -36.85 75.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 60.88 51.83 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.81 -49.9 13.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -145.87 137.91 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.461 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 61.2 mt -72.19 118.77 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 65.3 mt -72.9 -44.13 61.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.5 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -155.03 124.96 1.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.2 p -99.24 140.04 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.7 mt -138.51 118.09 9.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.647 0.737 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 126.01 12.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 51' ' ' LEU . 80.2 mt -101.41 -23.43 14.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.974 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.06 -12.19 1.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 19.9 m -119.88 34.06 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -137.85 175.11 9.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 91' ' ' GLU . 60.1 ttm-85 -134.91 84.97 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.8 t -56.51 143.68 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.29 135.43 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.28 137.5 57.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.9 m -46.54 153.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -87.1 157.9 53.39 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 2.14 3.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.2 p -109.22 -16.88 13.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -53.45 169.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -113.64 33.66 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mm -88.92 103.65 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.6 m -40.73 -39.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.664 ' CZ ' ' CD1' ' A' ' 39' ' ' TRP . 27.5 mtt85 -62.82 178.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -119.17 -64.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.409 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.6 m-70 -77.19 81.08 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.493 ' O ' ' NE2' ' A' ' 108' ' ' GLN . 52.1 m -130.79 157.56 42.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 4.1 p90 -144.84 131.21 19.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.554 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 16.9 pttt -112.8 137.04 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -104.99 122.21 45.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 72' ' ' ARG . 3.0 pt-20 -118.72 151.3 38.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 70' ' ' SER . 13.7 t-80 -120.98 1.48 10.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 45.35 47.42 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.2 -30.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.1 t -108.88 -70.3 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.143 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.527 ' CG ' ' N ' ' A' ' 97' ' ' THR . 15.3 ttm180 -172.44 165.2 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.527 ' N ' ' CG ' ' A' ' 96' ' ' ARG . 28.3 m -116.17 106.31 13.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -86.94 163.86 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.554 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 34.2 m-85 -127.59 153.39 46.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 78.2 m-85 -155.46 122.63 5.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 t -98.51 159.68 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.54 121.04 21.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -39.88 -50.43 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -115.91 157.08 45.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.659 0.742 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.79 -19.87 35.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.367 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -75.04 -33.29 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.49 -48.75 38.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 87' ' ' THR . 15.7 tt0 -51.79 -58.39 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.522 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.2 pt-20 -55.87 -49.86 72.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.522 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.0 -43.88 73.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.57 ' CE3' ' HE1' ' A' ' 115' ' ' MET . 39.4 m95 -61.18 -58.23 9.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 116' ' ' GLY . 85.4 mt -41.54 -38.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -56.09 -44.89 79.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.0 -47.02 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.57 ' HE1' ' CE3' ' A' ' 111' ' ' TRP . 8.9 mtt -68.9 -63.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -42.93 -44.57 5.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -73.24 -61.89 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.14 -29.86 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 120' ' ' ARG . . . -66.25 -45.17 81.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' ALA . 17.9 mtp85 -34.55 129.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.4 p -95.24 -13.86 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -151.64 172.6 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 0.0 110.87 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -78.01 124.75 28.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.22 145.3 8.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -83.47 165.35 19.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -98.64 132.54 43.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.54 -98.33 0.14 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.54 149.91 7.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -65.93 171.67 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 9' ' ' LYS . 92.1 mtt180 -35.54 146.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.3 t -83.77 -58.17 2.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -142.01 131.35 23.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.5 t -143.76 108.81 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 74.3 mmm -82.81 169.32 16.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -173.9 160.19 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -89.67 140.39 29.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -79.34 151.05 74.76 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.719 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -39.69 6.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -97.55 41.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.15 122.99 38.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.56 0.695 . . . . 0.0 111.09 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 131.3 20.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.457 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 7.5 p -67.88 114.57 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -64.37 -56.33 15.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.531 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 40.4 tttp -155.25 132.33 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -124.11 143.77 50.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.09 140.65 3.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.454 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 72.3 m95 -71.18 112.4 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 mt -117.96 173.94 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -109.6 127.54 54.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -103.29 109.12 20.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.493 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 7.2 tt0 -55.06 140.0 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.93 173.66 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -80.67 169.75 17.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -47.88 142.21 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.25 -71.83 0.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 p -95.54 144.26 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -107.4 90.64 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -150.94 158.27 43.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.493 ' CZ2' ' HG3' ' A' ' 31' ' ' GLN . 80.9 m95 -117.77 126.48 52.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -99.79 115.88 30.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -81.03 117.25 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -138.75 162.25 35.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.454 ' CE3' ' CD1' ' A' ' 27' ' ' TRP . 47.5 t-105 -75.32 115.82 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -102.1 134.15 45.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.412 ' CG2' ' NE1' ' A' ' 43' ' ' TRP . 37.9 t -138.57 131.04 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.7 tp -103.37 113.33 26.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 48' ' ' ASP . 76.4 t -140.4 135.86 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.476 ' N ' HG13 ' A' ' 47' ' ' VAL . 6.3 t70 60.2 53.32 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 45.35 31.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 11.5 m -138.4 155.19 48.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.402 HD21 ' N ' ' A' ' 52' ' ' PHE . 3.7 tt -100.68 131.3 46.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' N ' HD21 ' A' ' 51' ' ' LEU . 24.8 m-85 -131.43 119.39 21.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 42.2 p90 -105.98 123.08 47.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -109.77 164.47 12.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -63.37 -35.2 79.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -153.95 -177.68 6.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.47 -17.42 63.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -58.58 -38.54 78.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 57.01 49.68 13.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -65.89 -44.89 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 m -155.16 146.25 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 61.4 mt -73.08 115.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 18.4 mt -72.5 -35.59 68.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.422 ' HA3' ' CE1' ' A' ' 53' ' ' TYR . . . -166.21 129.99 2.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.42 ' C ' HG13 ' A' ' 66' ' ' ILE . 77.3 p -103.57 150.37 24.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.833 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.501 HD11 ' CE2' ' A' ' 98' ' ' TYR . 68.1 mt -147.46 115.36 4.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.12 4.9 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.7 mt -86.27 -27.71 24.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 tp -50.52 -16.93 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.411 ' HB2' ' NE2' ' A' ' 92' ' ' HIS . 15.5 p -104.7 -23.5 13.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.425 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 18.0 m-85 -87.58 163.44 16.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.449 ' NH1' ' OE2' ' A' ' 91' ' ' GLU . 3.1 ptm180 -128.39 70.82 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.3 t -40.02 145.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.99 130.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.73 167.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -88.36 -175.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -125.28 154.87 72.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.41 5.65 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.4 m -106.18 -2.58 22.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.79 165.64 14.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -88.18 48.47 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.8 mm -94.57 129.49 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.3 m -80.3 -37.7 32.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -84.17 153.69 23.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -81.28 -63.72 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 4.4 m-70 -78.94 84.81 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.484 ' CG2' ' N ' ' A' ' 88' ' ' PHE . 23.8 m -130.17 159.2 37.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.484 ' N ' ' CG2' ' A' ' 87' ' ' THR . 2.7 p90 -153.32 132.82 12.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.526 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.34 146.41 43.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -110.91 139.39 46.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.449 ' OE2' ' NH1' ' A' ' 72' ' ' ARG . 8.8 pm0 -131.76 156.89 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.594 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 23.6 t-160 -116.92 -0.26 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.806 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 54.6 49.18 18.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.65 -41.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 68.5 t -91.93 -74.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.569 ' HD2' ' CE2' ' A' ' 98' ' ' TYR . 17.8 ptp180 -165.64 -177.51 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.2 m -130.16 109.19 10.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.569 ' CE2' ' HD2' ' A' ' 96' ' ' ARG . 26.5 m-85 -85.17 153.94 22.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.562 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 34.1 m-85 -120.47 150.31 41.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 36.9 m-85 -154.2 116.42 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.1 t -104.17 157.73 16.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.44 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.45 -42.44 83.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.1 m -118.77 152.92 52.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.72 0.771 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.43 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.76 -21.35 33.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -72.4 -16.92 61.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -92.39 -50.71 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -50.54 -54.09 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.1 pt-20 -58.99 -50.16 75.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.521 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -58.21 -35.1 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.531 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.5 m95 -70.87 -42.16 70.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 116' ' ' GLY . 92.3 mt -61.4 -40.37 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -53.46 -46.72 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.21 -52.74 8.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.402 ' HE2' ' CE3' ' A' ' 111' ' ' TRP . 6.9 mtt -63.29 -61.48 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -45.16 -50.23 9.54 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -67.28 -52.46 40.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.75 -23.71 44.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 71' ' ' PHE . . . -80.6 -32.93 36.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -43.33 135.19 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.3 p -118.91 -13.26 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -124.63 86.25 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -160.95 153.93 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.14 -174.96 45.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 p -144.69 127.29 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 0.0 110.855 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -68.19 119.7 13.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.3 146.05 37.0 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.53 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.57 -61.34 0.77 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.525 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -168.98 154.48 6.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -86.01 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.1 p -167.05 116.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.806 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -104.94 147.45 27.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 p -80.59 151.69 28.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.459 ' HE3' ' CA ' ' A' ' 67' ' ' PRO . 50.6 mtm -112.49 173.33 6.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -143.52 148.72 36.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.567 ' HD2' ' CD2' ' A' ' 52' ' ' PHE . 34.2 ttt-85 -109.73 145.14 37.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -104.7 141.57 22.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -41.77 3.95 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -58.68 -40.37 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.39 130.85 18.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 134.2 27.36 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.653 2.236 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.465 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 88.9 t -68.91 115.86 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 3.9 m -66.76 -60.44 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.566 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 48.2 tttp -147.19 145.86 29.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.18 127.84 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.14 148.07 10.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 71.7 m95 -72.2 113.4 9.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 mt -116.2 171.93 7.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -117.12 121.64 41.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -107.75 114.28 28.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.24 148.56 18.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.33 102.5 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.9 m -71.35 -51.71 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.6 m -84.47 162.84 19.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 52.87 -140.61 30.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.6 p -59.14 160.6 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.163 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -114.66 97.53 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -161.33 132.33 5.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.451 ' CD1' ' NH1' ' A' ' 84' ' ' ARG . 82.7 m95 -58.78 116.27 3.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -95.04 117.04 29.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -78.11 114.21 16.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -134.45 160.01 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 42.3 t-105 -77.92 116.31 18.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CD2' HD23 ' A' ' 51' ' ' LEU . 3.7 m-85 -100.55 147.32 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.3 t -148.28 138.13 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.5 tp -110.98 113.25 25.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.465 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 15.2 t -142.31 136.56 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.448 ' N ' HG12 ' A' ' 47' ' ' VAL . 8.6 t70 57.45 53.63 7.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 45.73 27.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 69.5 m -134.15 149.55 51.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.543 HD23 ' CD2' ' A' ' 44' ' ' PHE . 3.8 tt -98.61 137.17 37.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 45.2 m-85 -137.98 119.77 15.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 37.8 p90 -104.69 121.75 44.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.487 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 79.7 m-85 -103.72 163.65 12.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -61.25 -32.24 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -162.11 -176.13 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.2 -30.43 68.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -47.38 -34.24 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 33.5 mt-10 53.8 46.23 26.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -60.34 -60.09 4.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 t -148.52 141.72 25.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.483 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 96.4 mt -66.64 126.53 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.555 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 59.2 mt -82.5 -38.61 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.01 139.66 6.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.435 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 p -114.28 141.56 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.466 HD12 ' CZ ' ' A' ' 98' ' ' TYR . 31.9 mt -139.7 122.25 10.2 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.459 ' CA ' ' HE3' ' A' ' 14' ' ' MET . 54.7 Cg_endo -69.7 124.6 11.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 28.4 mt -94.78 -25.56 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.474 HD21 ' N ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -58.93 -9.9 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.474 ' N ' HD21 ' A' ' 69' ' ' LEU . 1.8 t -117.78 25.79 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -137.64 159.03 43.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -116.0 76.04 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.2 t -49.12 146.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.27 156.56 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.26 163.59 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.8 m -78.12 167.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -113.88 159.5 35.71 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.557 0.694 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -4.25 13.7 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.4 p -104.9 -16.21 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.0 164.62 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -83.89 47.37 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.6 mm -121.64 111.38 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.7 m -70.66 -40.74 72.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.451 ' NH1' ' CD1' ' A' ' 39' ' ' TRP . 29.0 mtt85 -50.05 178.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -116.5 -68.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.42 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.8 m-70 -75.76 72.3 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.454 ' CG2' ' N ' ' A' ' 88' ' ' PHE . 34.6 m -126.39 157.86 37.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.454 ' N ' ' CG2' ' A' ' 87' ' ' THR . 2.5 p90 -150.93 131.94 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.71 146.59 43.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.13 148.4 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 92' ' ' HIS . 2.5 tt0 -142.61 150.45 40.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.42 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 3.4 t-80 -116.13 -22.46 8.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 74.77 49.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.84 -26.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 52.6 t -113.15 -66.64 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.501 ' NH1' ' CE1' ' A' ' 98' ' ' TYR . 7.8 ptm180 -174.3 179.66 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 82.2 m -126.49 106.88 9.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.501 ' CE1' ' NH1' ' A' ' 96' ' ' ARG . 53.2 m-85 -78.94 154.68 29.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 36.5 m-85 -122.78 151.7 41.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 36.4 m-85 -152.65 119.28 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.9 t -104.85 141.99 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -116.77 133.95 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -52.06 -54.2 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.0 m -110.51 157.48 38.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.79 -18.4 36.88 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -72.26 -37.74 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.35 -38.26 56.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -59.97 -57.28 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.6 pt-20 -57.31 -47.75 80.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.97 -52.14 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 25.7 m95 -51.22 -44.03 61.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 116' ' ' GLY . 78.9 mt -62.3 -38.01 80.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -56.53 -47.87 78.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.98 -51.58 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.478 ' HE1' ' CE3' ' A' ' 111' ' ' TRP . 6.7 mtt -64.03 -61.82 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -39.59 -51.02 3.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.74 -61.12 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -50.73 -25.75 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.67 -46.4 19.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -41.15 159.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 69' ' ' LEU . 22.2 t -133.51 45.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -159.56 172.43 17.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.373 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 m -88.5 93.51 9.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.86 -121.64 3.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.444 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -42.31 117.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -151.41 139.83 20.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.81 147.37 18.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.99 118.27 3.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -42.8 121.14 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -57.15 -62.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t -137.88 144.23 41.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.6 t60 -77.87 -50.01 13.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.2 m -97.45 164.05 12.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.8 mtp -59.32 134.54 57.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -135.54 168.95 18.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 13.5 ttt180 -124.33 145.56 49.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.434 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 43.7 m-80 -95.33 142.16 24.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -40.35 5.39 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -59.82 -41.8 92.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.37 126.07 15.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.521 0.677 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 131.28 20.94 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.685 2.256 . . . . 0.0 112.304 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.442 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 85.9 t -66.27 117.67 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.0 m -64.85 -58.3 6.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -148.89 134.47 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . . . -127.16 149.6 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.4 142.08 3.56 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 60.5 m95 -70.68 105.87 3.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.0 mt -105.81 175.02 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 41' ' ' LYS . 1.9 m-85 -125.46 108.28 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' HG3' ' CE1' ' A' ' 100' ' ' PHE . 21.7 ttpp -93.49 114.3 26.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.4 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 6.2 tt0 -44.86 141.62 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.33 124.89 5.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.9 t -95.83 -51.37 4.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.3 p -134.94 103.42 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.18 -141.33 9.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.3 m -70.41 177.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.175 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -99.98 93.9 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -174.26 133.06 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.4 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 67.7 m95 -61.9 146.87 48.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -124.49 110.33 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.486 ' HG3' ' CE2' ' A' ' 29' ' ' PHE . 3.7 ttpm? -73.29 124.27 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -139.85 157.85 45.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.572 ' CE3' ' CD1' ' A' ' 27' ' ' TRP . 43.8 t-105 -72.09 112.5 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.431 ' CE2' HD23 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.33 137.68 38.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.419 HG22 ' C ' ' A' ' 44' ' ' PHE . 53.8 t -139.64 131.08 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.412 ' CD2' ' HB3' ' A' ' 114' ' ' ALA . 44.4 tp -103.24 113.18 26.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 48' ' ' ASP . 54.3 t -140.41 135.46 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.477 ' N ' HG13 ' A' ' 47' ' ' VAL . 5.0 t70 56.51 53.93 8.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 45.5 34.05 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.578 ' SG ' ' CE1' ' A' ' 52' ' ' PHE . 35.9 t -138.93 150.14 45.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.431 HD23 ' CE2' ' A' ' 44' ' ' PHE . 3.6 tt -99.15 128.06 45.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.578 ' CE1' ' SG ' ' A' ' 50' ' ' CYS . 28.9 m-85 -131.02 119.34 21.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 6.6 p90 -105.69 127.27 52.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.469 ' CD2' ' HA ' ' A' ' 59' ' ' GLU . 75.9 m-85 -113.7 140.49 48.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' N ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -40.25 -40.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.424 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 2.2 t70 -145.15 -176.7 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -65.97 -20.7 66.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -55.78 -42.72 75.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.469 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 33.6 mt-10 62.34 49.29 4.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -60.01 -58.55 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -147.8 125.95 12.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 16' ' ' ARG . 34.4 mt -47.94 111.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 15.3 mt -66.27 -49.56 66.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.85 115.8 0.69 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.6 m -86.87 138.42 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 110.873 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.7 mt -130.17 112.96 17.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.652 0.739 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 121.01 7.71 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.357 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.9 mt -94.01 -26.7 16.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.69 -16.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 32.0 p -119.53 42.79 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.471 ' CE1' ' HB2' ' A' ' 92' ' ' HIS . 23.4 m-85 -146.52 169.78 18.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -128.64 81.23 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.9 t -56.54 146.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.76 133.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.31 164.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.8 m -86.16 164.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -114.0 158.86 38.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.54 4.33 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.393 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.0 t -114.65 -4.85 12.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.91 18.29 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.0 m120 52.12 33.48 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.6 mm -97.86 94.26 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.9 p -50.15 -39.26 42.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -63.33 -178.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -127.04 -60.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.407 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.9 m-70 -77.92 69.6 4.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 88' ' ' PHE . 98.3 m -131.63 156.56 45.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -137.09 131.56 32.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -105.32 132.14 51.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -111.49 137.31 49.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 pm0 -137.07 153.51 50.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 70' ' ' SER . 7.6 t-80 -116.57 2.09 12.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 48.5 31.72 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.72 -43.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.1 t -99.93 -64.0 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.808 0.337 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.496 ' HD3' ' CZ ' ' A' ' 98' ' ' TYR . 9.6 ptm180 -174.13 -175.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 95.8 m -127.14 114.92 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.496 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 61.6 m-85 -89.98 172.04 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 33.9 m-85 -142.04 147.56 37.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 9.2 m-85 -150.94 124.07 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -102.82 159.75 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.13 124.03 39.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -49.74 -25.82 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 p -134.74 156.13 78.86 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.649 0.738 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.407 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.76 -35.29 12.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.648 2.232 . . . . 0.0 112.379 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -61.01 -38.04 84.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -69.38 -46.27 67.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.06 -62.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.7 pt-20 -52.27 -50.5 62.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.521 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.34 -42.35 73.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.49 ' CE3' ' HE2' ' A' ' 115' ' ' MET . 35.1 m95 -61.21 -57.96 10.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 116' ' ' GLY . 85.6 mt -44.88 -41.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.56 -49.46 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.412 ' HB3' ' CD2' ' A' ' 46' ' ' LEU . . . -78.21 -51.51 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.49 ' HE2' ' CE3' ' A' ' 111' ' ' TRP . 9.5 mtt -63.56 -62.27 1.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.17 -46.3 8.1 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -70.86 -55.27 8.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.95 -31.63 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.5 -47.78 69.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 -40.49 137.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.3 t -95.26 -24.64 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -136.47 163.63 30.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.828 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 m -141.52 141.53 33.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.92 -156.36 10.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.2 p -156.09 131.49 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.882 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -55.14 154.9 5.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.66 66.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.9 78.26 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -135.48 158.68 43.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.764 0.316 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mmt-85 -112.8 143.84 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.9 p -110.03 -47.18 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -44.8 -50.29 10.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.9 t -63.59 139.43 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.9 mmm -137.05 149.76 47.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -146.27 170.21 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.9 ttt-85 -106.6 137.06 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -76.08 154.33 84.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -33.51 16.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -106.85 38.81 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.24 124.32 45.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 111.073 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 140.59 43.28 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.455 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 76.6 t -78.72 108.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' LEU . 4.2 m -58.14 -57.13 14.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.513 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 41.0 tttp -156.42 132.13 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -121.61 149.95 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.22 141.62 3.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 76.1 m95 -71.75 123.84 23.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.5 mt -129.61 178.42 6.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -119.29 118.44 31.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -98.72 105.27 17.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -51.59 139.68 20.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.96 128.75 34.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.9 t -108.31 -45.43 3.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.9 m -94.2 92.89 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.67 -135.62 8.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.8 m -81.33 164.69 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.925 0.393 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -89.8 109.67 20.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -167.55 -178.56 4.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -117.59 136.44 53.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -119.41 112.15 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -77.93 120.4 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -138.06 161.21 37.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.578 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 31.8 t-105 -75.35 115.22 14.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -100.54 135.3 42.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.1 t -138.14 130.47 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 23' ' ' THR . 27.0 tp -103.34 113.47 26.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 48' ' ' ASP . 55.1 t -140.03 136.87 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.46 ' N ' HG13 ' A' ' 47' ' ' VAL . 8.3 t70 57.7 54.39 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 46.09 26.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 4.5 t -132.29 156.21 46.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.9 tt -102.54 136.1 42.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 50' ' ' CYS . 18.7 m-85 -137.24 121.46 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.442 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 50.7 p90 -109.26 123.55 49.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.494 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 75.9 m-85 -108.54 154.34 22.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -56.92 -29.21 62.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 6.3 p30 -150.31 -175.14 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -83.0 38.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -102.66 -25.73 13.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 54.4 mt-10 45.15 53.2 8.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -99.34 -54.8 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -127.36 115.01 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.494 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 87.3 mt -65.01 116.34 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 18.2 mt -69.24 -37.49 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -167.2 126.01 1.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 p -102.7 128.94 49.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.419 HG22 ' CE2' ' A' ' 98' ' ' TYR . 61.4 mt -117.53 115.75 37.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.466 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 54.4 Cg_endo -69.72 119.01 6.03 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.4 mt -94.41 -25.06 17.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tp -52.23 -15.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.574 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 15.8 p -125.19 40.73 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 67' ' ' PRO . 17.0 m-85 -140.66 -179.26 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -134.99 102.02 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 16.3 t -87.8 137.18 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.02 143.99 3.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.03 158.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.9 m -72.52 174.49 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -114.88 156.56 44.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.4 16.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.2 p -105.5 -7.53 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.16 165.0 25.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 81' ' ' ASN . 2.0 p-10 -90.63 55.25 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.1 mm -126.87 98.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 p -78.43 1.24 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -97.62 129.37 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -80.05 152.62 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.405 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 5.2 m-70 69.14 55.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 88' ' ' PHE . 55.8 m -123.03 155.41 36.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 6.8 p90 -148.07 138.68 22.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.4 OUTLIER -116.15 146.8 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -123.09 122.13 37.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -140.82 136.83 32.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 70' ' ' SER . 22.6 t-80 -83.49 -6.49 59.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 69.66 54.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.59 -20.08 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.462 ' CG2' ' H ' ' A' ' 96' ' ' ARG . 21.4 m -111.86 -56.39 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 111.138 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.462 ' H ' ' CG2' ' A' ' 95' ' ' VAL . 7.7 ptm180 -176.87 -179.89 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 63.5 m -134.81 104.39 5.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.447 ' CE2' ' HD3' ' A' ' 96' ' ' ARG . 51.8 m-85 -82.49 160.63 22.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 55.1 m-85 -134.46 147.56 50.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.457 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 16.6 m-85 -150.38 122.04 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.8 t -104.84 156.24 18.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -127.53 144.22 51.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.94 -36.87 85.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.1 p -124.06 153.26 67.87 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.686 0.755 . . . . 0.0 110.8 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.405 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 54.3 Cg_endo -69.74 -25.26 28.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.278 . . . . 0.0 112.368 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.55 -17.31 62.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -90.9 -46.95 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -53.36 -57.99 8.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.3 pt-20 -56.82 -49.09 76.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.509 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.55 -43.8 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.513 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 36.9 m95 -60.29 -52.92 63.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 116' ' ' GLY . 67.0 mt -49.8 -44.46 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -49.25 -42.85 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.35 -54.79 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 5.5 mtt -58.7 -61.95 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -42.65 -48.86 5.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -67.16 -54.61 19.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.24 -15.3 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.68 -41.76 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 29.7 mtp85 -44.02 162.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.1 t -123.17 -12.74 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.908 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.6 p -111.35 161.56 15.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -95.2 -46.26 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.4 168.74 12.72 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -126.95 151.3 48.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.855 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m -115.11 120.23 39.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.16 -121.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.35 133.33 7.32 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -134.15 173.46 11.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -118.25 -24.18 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.4 m -80.11 120.3 24.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -91.95 152.59 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.9 t -156.9 137.26 12.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 86.5 mmm -49.94 119.0 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -128.43 166.97 17.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 27.6 ttt-85 -128.2 141.67 51.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -97.77 141.93 23.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.37 7.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -59.96 -41.74 92.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.29 129.23 17.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 130.85 20.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.433 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 86.4 t -66.31 117.35 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.408 ' CG2' HD23 ' A' ' 46' ' ' LEU . 21.9 m -64.23 -52.13 60.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -156.79 139.54 15.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.0 140.65 49.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.07 143.6 6.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.547 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 84.3 m95 -72.75 107.5 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.7 mt -112.33 176.03 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -117.1 114.66 24.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -90.97 126.66 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -74.22 138.3 43.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.2 118.3 20.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.065 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 p -97.59 -46.24 6.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -87.61 86.83 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.77 -155.28 19.59 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -48.09 171.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -106.58 96.33 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 -152.82 -179.69 7.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -115.1 138.48 50.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -120.31 95.54 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.412 ' C ' ' HG2' ' A' ' 42' ' ' ARG . 77.4 tttt -54.98 123.75 14.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' HG2' ' C ' ' A' ' 41' ' ' LYS . 11.8 mmt180 -145.27 156.35 43.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.547 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 61.1 t-105 -73.69 115.19 12.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.412 ' C ' HG22 ' A' ' 45' ' ' VAL . 4.4 m-85 -100.53 139.93 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.412 HG22 ' C ' ' A' ' 44' ' ' PHE . 81.7 t -140.48 131.23 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.087 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.408 HD23 ' CG2' ' A' ' 23' ' ' THR . 54.9 tp -103.54 113.78 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 48' ' ' ASP . 46.7 t -141.07 135.55 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.478 ' N ' HG12 ' A' ' 47' ' ' VAL . 3.5 t70 55.53 54.83 7.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 19.1 mtm105 45.7 27.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 5.3 t -131.82 149.1 52.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tt -98.17 132.44 43.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 40.4 m-85 -135.15 119.22 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 31.3 p90 -108.25 127.71 54.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.526 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 63.4 m-85 -115.5 142.84 46.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HE3' ' CE ' ' A' ' 58' ' ' LYS . 9.6 pttp -44.47 -32.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -148.13 -178.85 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -79.76 44.1 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.466 ' CE ' ' HE3' ' A' ' 55' ' ' LYS . 2.3 ptmm? -103.31 -33.8 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.526 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 36.2 mt-10 53.91 45.4 27.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -101.22 -57.78 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.0 p -115.25 123.5 48.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 73.9 mt -79.05 116.71 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 56.6 mt -77.95 -45.89 22.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.467 ' HA3' ' CE2' ' A' ' 53' ' ' TYR . . . -152.88 136.24 5.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.422 ' C ' HG13 ' A' ' 66' ' ' ILE . 11.7 t -120.71 146.83 46.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 110.858 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.569 ' CD1' ' CZ ' ' A' ' 98' ' ' TYR . 36.6 mt -143.71 123.38 7.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.191 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 121.43 8.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 31.0 mt -92.94 -26.16 17.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -53.89 -14.94 1.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 89.3 p -123.07 42.89 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.455 ' CE1' ' HB2' ' A' ' 92' ' ' HIS . 25.5 m-85 -147.29 155.25 41.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -112.76 80.41 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.82 135.27 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.58 137.83 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.53 143.93 18.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.6 m -53.04 154.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -87.65 157.68 52.04 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.19 2.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 t -127.64 32.05 5.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -108.03 164.25 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -85.78 46.45 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.1 mm -124.4 86.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.9 p -54.43 -44.69 72.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -57.22 121.85 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -80.11 163.65 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.441 ' CD2' ' HD3' ' A' ' 105' ' ' PRO . 6.9 m-70 66.71 46.61 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.47 HG21 ' N ' ' A' ' 88' ' ' PHE . 72.6 m -118.06 157.04 27.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.47 ' N ' HG21 ' A' ' 87' ' ' THR . 5.2 p90 -148.36 131.3 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -114.34 146.69 40.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.43 ' O ' ' CG2' ' A' ' 97' ' ' THR . . . -105.8 152.85 22.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 92' ' ' HIS . 1.5 tt0 -147.47 143.61 28.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 4.4 t-80 -109.82 -20.92 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 73.57 41.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -177.08 -28.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.417 HG21 ' ND1' ' A' ' 92' ' ' HIS . 46.1 t -109.91 -65.6 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -174.64 -178.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 60.4 m -127.72 105.46 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.569 ' CZ ' ' CD1' ' A' ' 66' ' ' ILE . 56.3 m-85 -78.87 156.44 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 20.1 m-85 -125.41 151.51 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 18.8 m-85 -155.91 116.25 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.9 t -95.64 161.28 14.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.08 127.29 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -46.73 -50.73 17.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 p -116.6 155.87 48.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.441 ' HD3' ' CD2' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.74 -21.24 33.86 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.688 2.258 . . . . 0.0 112.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.59 -31.54 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -81.4 -43.09 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -55.32 -51.16 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.8 pt-20 -62.71 -50.53 70.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.531 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.71 -49.32 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.467 ' CE3' ' HE2' ' A' ' 115' ' ' MET . 36.1 m95 -56.13 -51.16 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 116' ' ' GLY . 89.6 mt -51.9 -39.54 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -53.71 -45.48 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.84 -55.98 4.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.467 ' HE2' ' CE3' ' A' ' 111' ' ' TRP . 4.0 mtt -58.64 -57.84 11.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -47.32 -51.67 14.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.535 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -63.93 -63.09 1.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.61 -29.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 120' ' ' ARG . . . -66.33 -43.29 86.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 119' ' ' ALA . 15.0 ptt180 -36.52 151.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.3 t -102.18 87.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m -117.02 94.41 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -65.78 -52.1 53.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.14 145.75 5.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -126.29 105.13 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 110.8 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -97.27 56.0 1.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.57 73.35 0.24 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -136.85 -57.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.72 105.87 3.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.341 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -74.31 -48.54 27.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.5 p -70.65 144.15 51.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -73.12 172.57 10.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.6 p -152.28 130.59 12.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.497 ' CE ' ' SG ' ' A' ' 50' ' ' CYS . 65.1 mmm -97.72 149.71 21.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.73 175.02 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.497 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 9.0 ttt-85 -130.7 90.83 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -50.3 141.3 16.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.619 0.723 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -41.8 3.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -59.5 -40.13 86.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.66 127.2 13.57 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.572 0.701 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 133.65 26.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.39 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.456 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 95.3 t -66.14 114.04 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 46.5 m -65.7 -57.96 6.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.559 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 42.5 tttp -160.31 133.6 6.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.73 147.27 52.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.93 152.6 10.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -72.0 107.02 4.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.84 0.352 . . . . 0.0 110.966 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.4 mt -116.2 178.92 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -122.58 131.2 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 31' ' ' GLN . 21.9 tttm -108.85 98.48 7.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' LYS . 5.0 tt0 -35.0 141.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.84 169.8 13.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.7 m -124.77 -56.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 m -89.88 167.74 12.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.82 -121.44 6.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -110.74 153.0 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 111.126 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -68.76 98.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -151.49 156.62 40.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -94.62 148.98 21.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -116.41 119.84 36.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -82.25 111.25 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -133.57 159.89 39.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -78.28 118.43 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CD2' HD23 ' A' ' 51' ' ' LEU . 3.6 m-85 -102.79 141.06 36.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 HG23 ' C ' ' A' ' 44' ' ' PHE . 77.5 t -143.0 129.0 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.6 tp -103.59 113.23 26.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 4.1 t -144.66 136.02 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 59.86 54.74 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 44.22 27.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.497 ' SG ' ' CE ' ' A' ' 14' ' ' MET . 94.9 m -134.53 152.8 52.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.558 HD23 ' CD2' ' A' ' 44' ' ' PHE . 3.9 tt -103.6 132.58 49.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 32.1 m-85 -131.43 119.42 21.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.529 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 52.1 p90 -105.7 116.44 31.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 70.9 m-85 -102.72 132.3 48.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -37.02 -40.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -144.22 -177.43 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 11.37 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -81.25 -19.67 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 48.89 47.34 21.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.15 -55.07 7.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.6 m -152.41 138.26 18.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.5 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 98.6 mt -70.28 117.54 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.529 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 7.2 mt -74.31 -37.75 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.0 143.89 8.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 m -116.4 137.64 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.6 mt -119.45 114.59 34.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 96.47 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 119' ' ' ALA . 61.2 mt -76.11 -19.02 58.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.481 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -59.63 -9.42 2.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.48 ' N ' HD23 ' A' ' 69' ' ' LEU . 4.5 p -129.57 38.71 3.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -140.26 161.82 36.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -121.33 87.9 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.3 t -65.52 143.31 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.73 132.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.95 156.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.53 165.37 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -107.78 160.43 26.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.605 0.717 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -12.87 33.72 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.2 p -96.82 -10.49 26.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 4.5 t0 -65.33 164.72 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -96.19 35.23 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 8.2 mm -99.64 129.46 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.2 p -95.06 33.84 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -126.21 179.2 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.53 -73.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.553 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 2.3 m-70 -78.89 82.41 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 88' ' ' PHE . 54.6 m -131.47 155.78 46.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 2.2 p90 -145.76 131.01 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.57 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.57 132.24 56.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.67 114.84 29.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.61 149.68 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 94' ' ' GLY . 18.7 t-80 -128.39 86.69 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -31.52 92.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 129.26 -0.58 6.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.463 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 25.1 t -131.58 -77.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.531 ' CG ' ' N ' ' A' ' 97' ' ' THR . 12.7 ttm-85 -176.82 165.23 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.531 ' N ' ' CG ' ' A' ' 96' ' ' ARG . 16.3 m -112.24 140.34 47.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 89' ' ' LYS . 30.4 m-85 -122.93 168.95 11.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.57 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 47.6 m-85 -141.45 149.34 40.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.434 ' HB2' ' CE2' ' A' ' 88' ' ' PHE . 41.7 m-85 -156.11 123.55 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 t -98.93 168.82 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.93 32.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -59.44 -44.77 92.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -118.89 153.12 52.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.553 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.3 Cg_endo -69.82 -21.86 32.61 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.62 2.213 . . . . 0.0 112.345 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.78 -30.4 64.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.77 -44.64 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -50.29 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.6 pt-20 -52.21 -48.7 64.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.5 -43.72 72.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.559 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.3 m95 -60.38 -43.1 96.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 116' ' ' GLY . 83.4 mt -62.53 -34.96 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.89 -41.03 90.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.99 -41.27 18.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.402 ' HE3' ' CE3' ' A' ' 111' ' ' TRP . 9.9 mtt -73.37 -62.51 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -43.4 -40.12 4.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -75.57 -63.15 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.14 -18.83 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 68' ' ' LEU . . . -79.56 -34.49 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -45.66 142.1 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 6.2 p -120.87 16.0 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -144.47 109.55 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -104.99 131.0 53.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.36 159.28 13.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -106.12 126.22 51.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 p -139.86 133.9 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.49 -165.17 22.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.42 -62.66 0.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -154.34 169.95 22.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.29 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -138.44 119.49 14.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 t -99.35 -177.71 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -105.79 -50.28 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.8 m -46.08 106.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.7 mmm -56.99 128.35 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.79 164.14 36.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.3 tpt85 -102.99 118.54 37.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -99.27 137.1 20.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -35.93 11.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -63.18 -37.41 87.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 126.77 92.68 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 142.96 49.45 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.736 2.291 . . . . 0.0 112.307 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.427 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 9.4 p -74.18 116.56 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.0 m -67.42 -51.71 48.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.54 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 33.8 tttp -162.06 138.7 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.559 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . . . -137.95 150.23 46.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.49 148.26 6.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 76.7 m95 -71.65 112.19 7.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.766 0.317 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 mt -116.78 178.29 4.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 45.0 m-85 -117.86 122.05 42.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -104.15 117.5 34.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 10.1 tt0 -63.53 140.04 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.26 154.82 40.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.1 m -133.02 147.91 52.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.2 m 44.97 40.64 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -170.61 -153.55 8.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.31 116.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -64.57 83.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -149.61 149.06 30.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.425 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 78.2 m95 -86.07 125.52 33.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -101.46 110.18 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 32.3 tttp -74.08 125.2 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -145.28 165.83 27.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.559 ' CZ2' ' HB2' ' A' ' 25' ' ' ALA . 58.3 t-105 -82.18 116.48 21.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -101.23 139.01 37.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -140.02 129.4 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 16.5 tp -104.43 114.64 29.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.427 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 4.4 t -143.45 132.33 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t70 60.88 53.7 3.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 45.11 37.56 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.4 m -142.78 149.9 39.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tt -98.54 133.0 43.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -131.21 119.38 21.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.534 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 35.9 p90 -109.74 115.99 30.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.564 ' CE1' HG12 ' A' ' 62' ' ' ILE . 86.1 m-85 -104.09 168.87 8.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -65.33 -35.47 81.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -157.03 -177.92 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -64.03 -8.59 12.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -63.14 -44.81 94.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.22 46.03 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.08 -46.71 64.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 t -151.4 141.88 22.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 54' ' ' TYR . 86.8 mt -70.97 118.06 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 46.5 mt -75.76 -32.66 60.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.534 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -174.48 130.9 1.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.2 m -109.32 136.11 49.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 31.9 mt -128.32 115.85 19.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 121.49 8.18 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.4 mt -93.73 -26.71 16.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.7 tp -47.81 -18.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.467 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 3.9 p -121.02 40.99 3.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.428 ' CD1' ' O ' ' A' ' 70' ' ' SER . 19.0 m-85 -145.24 176.81 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 53.2 mtm180 -133.64 109.31 9.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 26.0 t -91.21 147.83 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.63 158.64 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.82 147.1 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -58.79 177.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -120.05 160.51 42.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -14.67 36.26 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.3 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.7 p -99.09 8.72 44.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.41 174.09 10.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -99.55 22.14 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.2 mm -97.63 133.67 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -97.51 -42.09 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.3 mtt-85 -58.88 129.68 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -79.37 164.43 24.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.409 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.9 m-70 59.06 53.17 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.477 ' CG2' ' N ' ' A' ' 88' ' ' PHE . 3.5 m -117.62 156.89 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.1 p90 -148.55 145.27 27.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.64 155.2 36.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -131.3 119.24 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 97' ' ' THR . 3.1 pt-20 -138.7 138.05 37.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 70' ' ' SER . 42.3 t-80 -87.92 0.22 56.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 62.24 55.0 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.05 -21.67 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.448 ' CG2' ' H ' ' A' ' 96' ' ' ARG . 18.2 m -112.8 -56.42 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.448 ' H ' ' CG2' ' A' ' 95' ' ' VAL . 0.0 OUTLIER -177.55 -178.51 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.462 ' CG2' ' HB3' ' A' ' 91' ' ' GLU . 40.9 m -134.46 102.94 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -78.87 156.35 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.5 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 16.8 m-85 -127.88 150.19 49.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 31.2 m-85 -152.8 120.98 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.6 t -103.65 149.65 24.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -121.94 143.35 49.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.51 -36.46 82.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.5 m -125.52 151.99 71.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.2 Cg_endo -69.77 -18.52 36.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -77.8 -16.55 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -93.56 -41.27 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 87' ' ' THR . 18.8 tt0 -56.74 -57.49 12.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.3 pt-20 -57.72 -49.24 77.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -53.63 -48.89 68.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.54 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 35.2 m95 -57.05 -49.62 75.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 116' ' ' GLY . 79.6 mt -51.89 -42.83 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -50.08 -43.66 51.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.27 -54.62 5.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.499 ' HE1' ' CE3' ' A' ' 111' ' ' TRP . 10.5 mtt -58.5 -59.87 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -45.81 -56.0 6.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.24 -45.06 96.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.87 -13.66 61.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -106.47 -2.54 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -57.53 -174.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.475 ' O ' ' CG1' ' A' ' 121' ' ' VAL . 85.5 t -133.24 2.77 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -143.25 130.83 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -171.83 147.65 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.07 70.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 p -117.65 123.49 46.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.358 . . . . 0.0 110.87 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -163.86 119.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.97 173.84 27.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.94 99.25 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp 50.68 42.67 27.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -88.36 38.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 12' ' ' HIS . 2.8 t -73.72 -54.39 8.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 11' ' ' SER . 8.6 p80 -34.57 -48.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.8 p -167.72 132.95 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.6 mtp -90.66 166.54 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -153.23 144.91 23.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.501 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 7.1 ttt-85 -97.02 120.5 37.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -77.97 143.28 65.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -37.15 9.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -63.12 -39.76 95.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.73 129.63 71.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 131.54 21.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.27 . . . . 0.0 112.306 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.467 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 5.7 p -66.19 117.27 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -66.11 -63.64 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.521 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 33.1 tttp -150.58 133.54 16.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.94 146.99 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.65 157.48 17.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 94.7 m95 -76.36 112.92 13.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.787 0.327 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.516 HD13 ' CE2' ' A' ' 111' ' ' TRP . 16.1 mt -120.02 170.59 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 3.4 m-85 -117.93 114.33 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -91.74 124.52 35.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -58.43 154.57 13.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.66 46.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' SER . 35.0 m -41.18 -36.51 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' SER . 1.8 m -35.68 -60.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.96 -88.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.428 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.8 m -43.18 160.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.947 0.403 . . . . 0.0 111.095 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -99.4 101.44 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -164.89 -177.68 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -132.09 135.83 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -112.88 124.34 52.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.49 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 18.9 tttm -86.97 108.15 18.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -129.43 158.92 37.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.571 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 49.5 t-105 -73.72 118.45 16.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -100.97 141.89 33.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.7 t -143.01 128.33 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 29.3 tp -103.39 113.61 27.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 17.7 t -141.9 136.12 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.439 ' N ' HG11 ' A' ' 47' ' ' VAL . 18.3 t0 56.91 54.1 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 46.02 28.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 70.8 m -133.17 153.09 51.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.8 tt -103.13 131.29 50.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 38.8 m-85 -133.35 119.67 20.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.535 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 5.7 p90 -108.32 122.79 47.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.461 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 73.7 m-85 -105.56 149.78 25.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 44.0 pttt -44.9 -32.36 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -152.99 -175.05 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.571 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 4.4 tp10 -69.24 -26.38 64.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -49.68 -27.18 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.461 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 34.4 mt-10 51.5 53.72 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -75.02 -64.16 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.2 t -134.18 143.03 47.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.0 mt -71.78 116.36 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.535 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 73.9 mt -74.24 -45.21 49.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.81 115.12 0.64 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 p -90.5 137.2 32.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.509 HD12 ' CE2' ' A' ' 98' ' ' TYR . 32.6 mt -129.73 115.29 18.03 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 119.52 6.45 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.8 mt -93.96 -25.51 17.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.41 ' CD1' HG22 ' A' ' 121' ' ' VAL . 5.9 tp -52.43 -15.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 13.0 m -118.83 33.77 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -137.36 174.62 10.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -133.58 89.43 2.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.44 146.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -169.53 134.74 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.61 138.88 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 87' ' ' THR . 3.3 m -53.7 168.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -114.49 158.72 39.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -1.87 9.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.314 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -106.49 -12.56 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.11 156.93 36.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -85.14 46.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.2 mm -114.48 88.75 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.2 m -45.71 -33.22 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -63.53 162.96 11.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -108.18 -58.43 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 5.4 m-70 -76.9 64.39 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.43 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 52.8 m -130.79 143.46 50.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.496 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -127.75 131.63 49.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.563 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 2.4 pttm -101.34 133.36 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -111.27 125.4 53.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' ARG . 2.9 pt-20 -124.8 143.44 50.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 70' ' ' SER . 3.7 t-80 -106.33 -10.84 16.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 60.96 35.28 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -161.46 -40.84 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 17.9 t -104.97 -71.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 111.1 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.44 ' NE ' ' OH ' ' A' ' 98' ' ' TYR . 6.4 ptt180 -167.36 172.98 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.7 m -114.82 117.63 31.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.509 ' CE2' HD12 ' A' ' 66' ' ' ILE . 21.8 m-85 -88.78 171.53 9.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.563 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 19.6 m-85 -139.24 141.99 37.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 12.7 m-85 -144.43 132.38 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.6 t -116.57 160.92 19.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.88 138.4 48.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.71 -44.29 96.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.27 146.42 33.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.845 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.537 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.71 -17.94 37.51 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -77.8 -30.96 51.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -78.67 -40.51 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -52.05 -62.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.3 pt-20 -54.48 -49.04 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.24 -42.08 72.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.521 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.7 m95 -61.1 -52.74 63.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.54 -49.85 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -46.05 -40.44 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.27 -57.29 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.521 ' HE2' ' CE3' ' A' ' 111' ' ' TRP . 13.4 mtt -57.88 -65.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' MET . . . -37.66 -49.47 1.86 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -68.04 -60.15 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.47 -18.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.54 -43.35 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 120' ' ' ARG . 3.1 ptp180 -68.2 145.6 54.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.41 HG22 ' CD1' ' A' ' 69' ' ' LEU . 21.9 t -114.2 89.4 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -158.32 136.6 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.359 . . . . 0.0 110.884 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -105.9 149.0 26.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.59 123.12 1.02 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -86.59 166.84 15.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.827 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -140.09 159.8 41.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.41 -117.84 6.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.17 74.42 1.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -83.87 82.48 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -72.38 125.19 26.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.1 p -107.97 94.2 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -163.76 134.91 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -140.36 148.82 41.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 58.0 tpp -91.37 130.18 37.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -141.76 156.78 45.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' CZ ' HG23 ' A' ' 47' ' ' VAL . 9.1 tpt85 -103.68 135.03 46.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -113.95 139.24 23.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.641 0.734 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.61 30.55 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -69.34 -42.2 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.83 123.52 79.99 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 111.091 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 134.12 27.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.473 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 5.0 p -61.36 113.62 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -63.82 -55.34 23.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.505 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 32.7 tttp -159.2 134.3 8.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -134.96 131.26 36.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' HA2' ' CZ3' ' A' ' 43' ' ' TRP . . . -163.63 154.32 25.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -72.37 108.46 5.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 0.0 110.956 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.7 mt -120.23 178.05 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 45.8 m-85 -116.8 123.82 48.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -99.71 99.89 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.52 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 7.8 tt0 -46.43 148.71 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.82 140.74 33.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.8 m -114.97 -46.75 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -69.23 131.94 45.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.79 -124.06 22.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.1 p -49.8 167.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 111.099 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.48 64.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -116.89 129.44 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.52 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 69.1 m95 -61.92 122.56 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -104.86 99.27 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 19.3 tttm -59.72 120.5 9.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -138.97 158.88 43.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.405 ' CZ3' ' HA2' ' A' ' 26' ' ' GLY . 38.9 t-105 -74.08 117.67 16.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.35 138.26 37.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.3 t -140.1 129.14 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 52.6 tp -103.36 113.93 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.473 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 15.1 t -142.85 134.67 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 59.09 52.33 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 47.17 28.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 17.2 t -133.07 151.32 52.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -101.43 129.57 47.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 46.6 m-85 -131.17 119.35 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.6 p90 -108.6 120.65 43.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -104.42 155.88 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -50.19 -39.36 43.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -155.03 -178.36 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.7 -18.54 54.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -54.93 -35.69 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 58.51 46.41 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -65.24 -63.25 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -143.5 147.24 34.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.54 121.93 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 45.9 mt -79.39 -40.15 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -164.73 114.54 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.4 p -88.71 141.81 28.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.514 HD13 ' CE1' ' A' ' 98' ' ' TYR . 32.9 mt -138.76 112.36 8.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.73 4.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' SER . 39.9 mt -84.41 -34.51 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.43 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -41.91 -23.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.598 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 32.4 t -115.78 43.04 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' LEU . 16.1 m-85 -143.13 175.08 10.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -133.88 92.85 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 25.7 t -72.42 142.14 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.06 128.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.4 160.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.48 172.96 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -112.24 160.24 30.88 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.703 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -9.11 25.31 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.6 p -91.13 -20.34 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -67.91 156.73 36.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -94.07 46.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 1.4 mt -108.92 102.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.2 p -59.8 -47.98 83.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -56.05 137.25 51.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -94.11 175.09 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 8.1 m-70 52.11 49.98 19.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.489 ' CG2' ' N ' ' A' ' 88' ' ' PHE . 18.6 m -110.87 159.17 17.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.489 ' N ' ' CG2' ' A' ' 87' ' ' THR . 1.3 p90 -153.56 132.39 12.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.477 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -118.26 146.57 44.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.91 132.35 53.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -124.6 138.02 54.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 70' ' ' SER . 11.5 t-80 -106.68 -6.59 17.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 54.16 51.93 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.48 -35.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.421 HG11 ' NH1' ' A' ' 96' ' ' ARG . 11.2 t -109.92 -70.67 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.421 ' NH1' HG11 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -164.44 -177.31 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.9 m -129.24 104.6 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.514 ' CE1' HD13 ' A' ' 66' ' ' ILE . 23.9 m-85 -78.87 153.47 30.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 11.2 m-85 -122.95 155.27 37.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 31.7 m-85 -155.91 119.38 4.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 t -99.38 157.39 16.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.53 142.99 49.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.46 -46.11 84.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.4 p -117.45 154.55 50.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.747 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.81 -20.53 34.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -73.26 -24.97 60.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -84.09 -42.92 15.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -59.34 -53.04 62.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.5 pt-20 -58.86 -46.03 88.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.452 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -61.83 -47.45 85.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.505 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 31.7 m95 -56.86 -44.25 82.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 116' ' ' GLY . 74.2 mt -58.68 -38.64 72.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -53.54 -46.25 70.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.53 -53.56 6.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 6.4 mtt -60.96 -60.85 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.97 -49.09 9.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.63 -45.96 81.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.96 -29.61 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.76 -45.15 21.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.064 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -40.87 133.81 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.3 t -71.33 -13.3 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -80.87 161.16 24.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.824 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -60.41 129.43 41.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.65 98.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 m -49.27 125.18 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.899 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m -78.03 -55.56 5.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.62 -96.09 0.1 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.73 139.41 9.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -81.61 87.98 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.736 0.303 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.7 mtm-85 -44.23 165.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.8 p -58.91 122.73 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -107.54 105.55 15.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.2 p -160.93 169.76 21.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.9 mmm -116.75 139.79 50.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -156.03 172.09 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.467 ' CZ ' HG23 ' A' ' 47' ' ' VAL . 9.1 tpt85 -93.76 132.42 38.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' OD1' ' ND2' ' A' ' 19' ' ' ASN . 6.8 t-20 -102.82 121.92 47.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.25 35.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.314 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.457 ' ND2' ' OD1' ' A' ' 17' ' ' ASN . 1.2 p30 -90.36 -33.99 15.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.79 131.08 91.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 138.01 36.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.452 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 74.3 t -62.23 110.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.404 ' CG2' HD23 ' A' ' 46' ' ' LEU . 31.3 m -59.39 -43.15 92.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.57 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 37.2 tttp -173.76 132.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -130.48 143.24 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.33 146.83 7.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.494 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 74.7 m95 -72.92 104.7 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -110.6 173.5 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -115.56 116.76 28.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -97.75 108.72 21.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -48.44 145.96 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.6 116.34 4.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 t -67.8 -39.37 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.5 t -153.83 136.26 15.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.73 -153.81 16.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 p -44.88 134.96 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -81.12 99.79 8.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -170.42 135.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -71.69 133.85 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -107.83 121.19 44.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -75.12 126.04 30.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -145.42 154.88 42.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 60.7 t-105 -75.31 122.23 23.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CD2' HD23 ' A' ' 51' ' ' LEU . 3.2 m-85 -106.57 134.76 49.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.7 t -139.05 127.89 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.404 HD23 ' CG2' ' A' ' 23' ' ' THR . 18.9 tp -104.1 113.29 26.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' CZ ' ' A' ' 16' ' ' ARG . 9.6 t -143.95 142.45 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.465 ' N ' HG12 ' A' ' 47' ' ' VAL . 8.6 t70 58.36 49.43 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? 46.32 48.8 13.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.2 t -159.33 156.84 29.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.548 HD23 ' CD2' ' A' ' 44' ' ' PHE . 2.5 tt -100.3 133.33 44.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 28.9 m-85 -131.36 119.33 21.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 5.7 p90 -106.61 122.42 46.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.42 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 74.7 m-85 -112.15 154.0 26.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -54.07 -37.47 64.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -150.32 177.96 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.72 -22.39 57.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -53.48 -37.45 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.42 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 21.9 mt-10 53.28 34.18 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -51.73 -59.59 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.9 m -135.08 141.36 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.4 mt -68.47 119.59 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.539 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 45.9 mt -72.39 -41.71 66.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -175.46 116.72 0.58 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -82.78 140.31 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.839 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 80.7 mt -129.94 116.19 17.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.567 0.698 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 134.12 27.16 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.466 ' CD1' HD13 ' A' ' 51' ' ' LEU . 41.3 mt -110.06 -21.27 12.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.416 ' CD2' ' H ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -51.9 -16.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -100.86 -32.08 10.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -79.39 169.54 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' VAL . 69.9 ttt180 -130.86 64.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 72' ' ' ARG . 48.6 t -33.69 144.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.92 129.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.45 152.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 m -66.22 -176.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.428 ' CD ' ' HD2' ' A' ' 78' ' ' PRO . 5.7 mm-40 -136.18 162.0 59.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.428 ' HD2' ' CD ' ' A' ' 77' ' ' GLN . 53.7 Cg_endo -69.74 -4.33 13.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.244 . . . . 0.0 112.37 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 t -95.91 -17.73 20.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.63 156.65 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.52 47.29 1.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.8 mm -106.04 126.65 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.7 t -94.79 -43.25 8.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -64.92 135.42 55.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -86.15 161.2 18.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.409 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.7 m-70 67.52 50.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 88' ' ' PHE . 37.9 m -122.36 147.93 45.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -131.76 131.38 42.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 8.6 pttt -105.19 135.41 46.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -106.73 131.2 54.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -137.19 134.61 36.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.437 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 1.9 t-80 -98.92 -16.57 18.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 70.79 37.24 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.69 -31.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.26 -63.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 111.105 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.549 ' HD3' ' CE2' ' A' ' 98' ' ' TYR . 0.2 OUTLIER -175.0 178.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.3 m -122.22 106.42 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.549 ' CE2' ' HD3' ' A' ' 96' ' ' ARG . 30.5 m-85 -81.47 169.88 16.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 20.8 m-85 -140.88 138.27 33.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -139.15 118.5 12.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -96.91 150.08 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -125.5 123.0 38.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.79 -43.36 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.2 p -121.57 153.82 59.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.701 0.763 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.409 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 54.0 Cg_endo -69.73 -22.86 31.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -74.15 -19.16 60.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -81.41 -54.1 5.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 111' ' ' TRP . 9.8 tt0 -56.49 -63.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.5 pt-20 -38.97 -44.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -72.38 -34.14 67.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.57 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 32.0 m95 -68.6 -42.62 77.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 116' ' ' GLY . 79.9 mt -57.77 -39.87 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.22 -46.81 69.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.35 -56.7 4.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.491 ' HE1' ' CE3' ' A' ' 111' ' ' TRP . 6.3 mtt -59.5 -59.33 5.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -47.93 -51.25 19.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -63.36 -55.27 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.98 -21.95 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.8 -45.17 21.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -40.64 146.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.6 t -117.91 45.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t 37.76 42.19 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 0.0 110.888 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -91.03 165.53 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.31 -161.08 10.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -139.54 176.54 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 m -152.36 144.07 23.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.22 -168.61 23.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.38 41.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.445 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -105.34 165.44 11.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.772 0.32 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.77 149.08 27.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -136.71 110.77 8.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -106.0 -53.06 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.5 p -173.38 147.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 52.7 mmm -118.99 140.52 49.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -149.25 149.38 30.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.947 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' N ' ' HD3' ' A' ' 15' ' ' LYS . 22.2 ttt-85 -74.69 139.95 43.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -86.65 124.13 69.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -13.37 34.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -88.29 -36.01 16.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.4 128.97 93.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 130.45 19.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.47 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 95.5 t -52.82 109.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 m -58.53 -59.34 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.477 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 10.5 tttm -154.33 138.18 16.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.443 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.17 130.93 45.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.07 142.55 7.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.65 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 68.2 m95 -70.78 106.05 3.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.52 HD13 ' CE2' ' A' ' 111' ' ' TRP . 45.6 mt -110.65 174.04 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 5.8 m-85 -117.06 105.85 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -83.22 116.22 22.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' NE2' ' CD1' ' A' ' 82' ' ' ILE . 4.8 tt0 -53.47 159.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.17 175.79 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.5 m -101.14 178.87 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.8 t -48.48 138.91 9.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.36 -57.51 0.44 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.3 t -105.07 110.13 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -95.26 85.42 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -174.98 121.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.426 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 57.1 m95 -61.0 143.54 55.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -110.49 112.27 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 36.0 tttt -77.53 119.53 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -141.12 167.61 21.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.65 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 33.5 t-105 -80.71 116.15 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.483 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.21 136.56 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.0 t -138.76 126.88 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.4 tp -103.13 112.96 26.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 12.5 t -143.0 135.73 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.452 ' N ' HG11 ' A' ' 47' ' ' VAL . 18.3 t70 58.49 54.6 5.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 44.65 29.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.2 t -134.96 147.58 49.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.483 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.3 tt -98.91 131.05 45.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 50' ' ' CYS . 35.8 m-85 -131.55 119.25 21.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.573 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 37.5 p90 -109.6 118.69 37.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.424 ' CE2' HG12 ' A' ' 62' ' ' ILE . 66.4 m-85 -103.4 140.92 36.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.468 ' N ' HD11 ' A' ' 63' ' ' LEU . 18.4 pttm -40.42 -41.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -142.41 -175.1 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 1.9 pp20? -80.88 41.87 0.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -99.86 -32.91 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 54.8 48.31 20.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -106.23 -64.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -111.88 129.21 56.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.424 HG12 ' CE2' ' A' ' 54' ' ' TYR . 81.0 mt -82.93 118.67 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.508 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 58.8 mt -76.08 -45.18 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.58 134.04 3.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 p -118.01 133.46 55.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.453 HG12 ' CZ ' ' A' ' 98' ' ' TYR . 3.9 mp -119.67 120.73 30.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 80.24 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.376 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 51' ' ' LEU . 87.7 mt -51.37 -33.25 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tp -49.32 -18.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 73.2 m -123.21 46.99 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.536 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 23.0 m-85 -147.16 166.76 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -122.98 87.88 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.24 144.53 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.99 151.12 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.81 153.52 36.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.452 ' CG2' ' HB ' ' A' ' 87' ' ' THR . 4.0 m -68.97 170.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -120.28 159.51 47.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.636 0.732 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.3 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.6 m -104.8 -19.84 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -73.91 163.34 28.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -83.92 38.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 99' ' ' PHE . 43.4 mm -99.23 108.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.186 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.8 m -81.81 40.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' CZ ' ' OG ' ' A' ' 101' ' ' SER . 12.4 mtp180 -132.8 175.22 9.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -106.68 -66.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.428 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 2.9 m-70 -89.97 83.85 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.452 ' HB ' ' CG2' ' A' ' 76' ' ' VAL . 77.2 m -133.18 156.52 47.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 12.1 p90 -150.8 131.17 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.536 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -120.33 145.64 46.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.498 ' O ' ' CG2' ' A' ' 97' ' ' THR . . . -103.11 150.18 23.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -140.49 134.69 31.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.536 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 6.6 t-80 -106.95 -2.19 21.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 49.81 40.23 19.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.03 -41.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.463 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.3 t -103.68 -67.42 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 6.5 ptm180 -170.41 -177.22 2.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 21.1 m -125.0 110.22 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.557 ' CE1' ' HD3' ' A' ' 96' ' ' ARG . 43.7 m-85 -84.05 150.18 25.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 82' ' ' ILE . 26.1 m-85 -120.62 143.86 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 11.9 m-85 -145.39 118.57 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.436 ' OG ' ' CZ ' ' A' ' 84' ' ' ARG . 12.3 t -104.51 140.5 37.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -113.05 132.69 55.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -46.18 -54.11 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 m -112.91 160.79 29.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.694 0.759 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.428 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.74 -19.13 36.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.93 -37.01 72.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -71.2 -52.02 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -46.03 -60.29 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.535 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 8.3 pt-20 -55.4 -50.63 69.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -51.29 -42.4 61.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.556 ' CE3' ' HE2' ' A' ' 115' ' ' MET . 47.8 m95 -64.9 -62.1 1.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 88.5 mt -39.84 -34.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -60.67 -46.76 89.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.68 -46.96 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.556 ' HE2' ' CE3' ' A' ' 111' ' ' TRP . 4.8 mtt -64.4 -63.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -40.95 -53.77 3.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -60.1 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.38 -17.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.57 -39.53 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.105 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -69.86 137.3 51.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 46.9 t -102.61 87.51 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -154.15 128.81 9.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 m -138.19 142.11 40.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.05 139.4 3.8 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -167.55 119.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 0.0 110.925 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -132.26 162.92 29.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.57 117.16 4.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.11 -176.4 45.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -107.1 96.72 6.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -139.8 112.75 8.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 p -147.93 172.43 14.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -68.72 -47.12 67.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.1 t 61.45 41.71 12.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.401 ' HE3' ' C ' ' A' ' 66' ' ' ILE . 72.8 mtp -134.25 112.19 10.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -123.62 169.11 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.455 ' HD3' ' CD2' ' A' ' 52' ' ' PHE . 12.1 tpt85 -106.25 133.92 50.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -123.95 138.97 31.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.704 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -27.86 25.95 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.71 -36.75 83.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.7 122.51 82.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 130.97 20.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.482 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 67.1 t -58.92 112.22 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.461 ' CG2' HD21 ' A' ' 46' ' ' LEU . 25.6 m -62.23 -57.86 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 30.4 tttp -155.86 136.58 13.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.488 ' HB3' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.92 131.28 44.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -166.48 158.24 31.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.443 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 68.3 m95 -83.76 102.71 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.7 mt -112.79 171.35 7.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 12.9 m-85 -109.91 122.57 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -96.55 106.55 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -45.97 145.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.36 96.19 10.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.6 p -90.55 -35.24 15.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.9 t -39.29 -50.78 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.791 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' VAL . . . -169.08 -88.09 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 35' ' ' GLY . 93.0 t -33.98 149.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -105.69 92.0 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -164.16 167.77 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -110.32 124.3 51.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -111.65 133.98 53.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -91.94 125.16 36.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -137.17 158.57 44.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CZ2' ' HB3' ' A' ' 25' ' ' ALA . 48.3 t-105 -73.04 113.99 10.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.436 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.4 m-85 -100.46 143.58 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.3 t -148.12 128.23 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.461 HD21 ' CG2' ' A' ' 23' ' ' THR . 22.0 tp -103.28 112.98 26.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 15.8 t -142.46 133.79 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 47' ' ' VAL . 3.4 t0 63.93 54.99 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 44.59 29.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.4 m -138.65 163.51 31.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.436 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.5 tt -109.55 139.65 44.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.455 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 48.5 m-85 -137.17 119.35 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.542 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.6 p90 -106.56 120.34 41.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.402 ' CE2' HG12 ' A' ' 62' ' ' ILE . 79.2 m-85 -108.67 157.38 18.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -51.62 -42.22 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -150.95 -177.31 5.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.9 -24.01 65.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -54.27 -40.77 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 60.55 47.68 8.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.48 -54.47 45.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -146.75 141.36 26.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.416 HD13 ' CB ' ' A' ' 16' ' ' ARG . 78.3 mt -63.96 131.29 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.542 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 39.7 mt -87.78 -38.29 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.26 130.29 1.66 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.426 ' C ' HG13 ' A' ' 66' ' ' ILE . 82.6 p -99.2 147.62 24.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 98' ' ' TYR . 11.1 mt -138.99 120.82 10.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.598 0.713 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 136.8 33.81 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.318 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 70' ' ' SER . 59.7 mt -119.52 -25.72 5.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.449 ' CD1' HG21 ' A' ' 121' ' ' VAL . 7.2 tp -46.8 -19.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 68' ' ' LEU . 74.6 m -107.17 -21.83 12.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 25.5 m-85 -86.94 164.6 16.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -126.45 90.0 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.0 t -63.3 146.52 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.47 136.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.84 162.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.402 HG12 ' CG2' ' A' ' 87' ' ' THR . 4.1 m -74.58 -177.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -130.85 159.75 69.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 1.36 4.46 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.6 p -101.27 -26.41 13.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -67.97 155.85 38.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -87.55 50.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.0 mm -105.16 131.83 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -80.08 -53.22 6.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -50.05 162.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -96.63 -69.24 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.416 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 6.4 m-70 -74.33 82.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.476 HG21 ' N ' ' A' ' 88' ' ' PHE . 88.4 m -131.99 156.16 46.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.514 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -146.73 131.53 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -114.79 148.33 38.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -121.49 140.08 52.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.441 ' C ' ' CD2' ' A' ' 71' ' ' PHE . 3.2 pt-20 -139.67 153.37 47.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.576 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 1.7 t-160 -103.98 -75.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 92' ' ' HIS . . . -175.94 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 44.14 46.28 8.06 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.41 ' CG2' ' H ' ' A' ' 96' ' ' ARG . 5.8 m -132.64 -57.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.578 ' HD3' ' CE2' ' A' ' 98' ' ' TYR . 2.5 ptm85 -172.06 166.56 6.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.9 m -134.54 106.84 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.578 ' CE2' ' HD3' ' A' ' 96' ' ' ARG . 91.8 m-85 -78.58 154.41 30.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 49.8 m-85 -135.3 136.35 41.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 16.4 m-85 -140.43 134.33 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 p -112.71 156.9 22.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . -131.36 123.61 28.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.08 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.9 mm-40 -36.2 -53.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 m -111.94 161.58 25.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.726 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.416 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.79 -18.7 36.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -72.54 -41.14 66.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.89 -45.3 78.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -53.87 -58.93 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.8 pt-20 -56.89 -48.63 77.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.03 -42.69 76.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.529 ' CE3' ' HE1' ' A' ' 115' ' ' MET . 33.0 m95 -61.31 -54.39 44.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 116' ' ' GLY . 92.3 mt -48.54 -41.39 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -50.57 -49.4 56.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.68 -55.72 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.529 ' HE1' ' CE3' ' A' ' 111' ' ' TRP . 4.6 mtt -56.45 -61.03 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -49.52 -53.0 22.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -56.18 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.75 -16.8 7.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 71' ' ' PHE . . . -93.41 -39.98 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -68.17 142.87 55.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.449 HG21 ' CD1' ' A' ' 69' ' ' LEU . 28.4 t -133.32 102.48 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.436 -0.265 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -157.91 120.42 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -83.2 156.14 23.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.14 113.56 4.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -119.53 95.41 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 t -144.09 134.25 24.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.85 113.86 4.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.77 -70.51 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -76.6 -55.65 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 mtt85 -85.03 41.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -128.93 113.18 14.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -54.26 -52.47 61.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.8 p -133.01 133.26 42.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.9 mtp -96.93 157.64 15.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.76 169.27 23.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.9 ttp85 -103.48 121.45 42.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -51.36 143.26 18.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.86 37.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -115.96 38.29 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.78 125.85 31.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.703 . . . . 0.0 111.144 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 134.75 28.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.304 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.459 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 7.6 p -71.33 113.51 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 46' ' ' LEU . 19.5 m -63.74 -52.92 58.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.561 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 35.3 tttp -154.01 143.97 21.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.46 ' HB2' ' CZ2' ' A' ' 43' ' ' TRP . . . -132.59 140.62 48.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.55 142.48 4.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.521 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.6 m95 -73.33 111.05 8.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.8 mt -114.45 172.25 7.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.46 ' CZ ' ' HG3' ' A' ' 41' ' ' LYS . 23.5 m-85 -120.37 115.39 23.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -95.01 110.25 22.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -48.54 147.13 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.01 108.97 20.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.0 t -98.55 -46.87 5.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 m -55.55 -44.57 76.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.35 -162.93 22.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.435 HG21 ' N ' ' A' ' 37' ' ' LYS . 4.3 p -44.07 140.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 111.113 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.435 ' N ' HG21 ' A' ' 36' ' ' VAL . 15.9 mmtp -67.85 94.3 0.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -157.56 169.91 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -104.95 126.41 51.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -104.9 118.27 36.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 27.1 tttt -81.33 124.39 29.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -144.95 157.34 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 37.7 t-105 -71.61 115.14 10.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.07 138.66 37.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.3 t -141.05 129.57 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' THR . 18.5 tp -103.41 113.37 26.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 48' ' ' ASP . 62.3 t -140.27 138.91 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.462 ' N ' HG12 ' A' ' 47' ' ' VAL . 15.4 t0 55.54 54.28 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 45.92 28.5 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 84.0 m -134.71 160.18 38.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tt -106.14 135.22 47.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -136.34 119.52 16.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -107.01 128.11 54.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.453 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 89.2 m-85 -109.45 140.2 43.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -38.43 -39.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -151.7 -176.45 5.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -80.75 42.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -103.74 -24.81 13.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 52.35 52.29 14.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -97.14 -57.52 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.1 t -140.5 139.69 35.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.453 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 89.8 mt -78.19 120.77 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.178 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.0 mt -71.39 -43.45 66.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.79 139.1 5.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.435 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 m -108.96 147.12 32.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.419 HD13 ' CZ ' ' A' ' 98' ' ' TYR . 64.6 mt -139.97 121.25 9.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.672 0.749 . . . . 0.0 111.073 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 119.63 6.55 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.7 mt -90.91 -25.64 19.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.414 ' H ' ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -57.97 -11.46 2.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.491 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 7.5 p -118.4 34.35 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -141.34 169.21 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -127.82 79.53 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.1 t -55.41 147.3 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -172.35 160.49 4.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.89 156.96 30.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.1 m -76.36 157.31 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -95.5 157.85 35.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 1.3 4.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.39 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.1 m -123.75 28.03 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.29 172.76 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -90.86 47.54 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.2 mm -123.85 108.26 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.6 m -60.78 -43.24 98.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -61.15 138.55 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -77.84 -66.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.423 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.4 m-70 -74.06 81.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 88' ' ' PHE . 54.8 m -133.61 158.53 42.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.465 ' N ' HG23 ' A' ' 87' ' ' THR . 10.7 p90 -153.41 131.12 11.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.569 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -115.69 148.72 39.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -111.23 137.22 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -129.21 149.33 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 92' ' ' HIS . 8.2 t-80 -114.95 -1.29 13.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 49.42 41.4 20.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.16 -39.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 88.6 t -104.99 -69.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.141 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.569 ' HD2' ' CE2' ' A' ' 98' ' ' TYR . 4.3 ptp180 -166.43 -176.92 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.2 m -130.3 107.46 9.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.569 ' CE2' ' HD2' ' A' ' 96' ' ' ARG . 33.8 m-85 -83.06 157.08 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 22.8 m-85 -123.03 148.94 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 98' ' ' TYR . 27.1 m-85 -154.29 120.43 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.4 t -107.9 163.58 13.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.12 138.98 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.48 -51.73 44.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 m -112.54 159.15 35.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.423 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 54.0 Cg_endo -69.73 -26.34 27.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.88 -39.4 90.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.09 -39.35 65.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -56.11 -60.57 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.9 pt-20 -56.82 -46.69 81.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.17 -50.95 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.561 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.7 m95 -55.53 -44.81 77.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 116' ' ' GLY . 83.1 mt -58.16 -37.18 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -55.25 -48.12 74.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.85 -53.17 7.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.063 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.541 ' HE3' ' CE3' ' A' ' 111' ' ' TRP . 5.5 mtt -61.96 -61.64 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -42.92 -48.12 6.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.53 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.54 -22.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 120' ' ' ARG . . . -77.65 -37.67 49.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 119' ' ' ALA . 22.6 ptt180 -37.64 150.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.9 t -93.36 -15.17 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -105.91 113.75 27.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.835 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -74.32 -48.37 28.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.81 -76.16 0.23 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.522 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m 54.24 46.35 25.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 t -112.64 130.75 55.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.85 82.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.74 126.45 2.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -66.8 83.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 37.17 42.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m -126.61 157.27 39.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -121.95 -52.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.2 m -150.56 162.02 41.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.473 ' CE ' ' SG ' ' A' ' 50' ' ' CYS . 86.6 mtp -56.15 130.39 44.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.92 -179.9 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.494 ' HD3' ' CD2' ' A' ' 52' ' ' PHE . 8.6 tpt180 -117.62 137.75 52.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -112.6 139.01 22.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.734 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -33.9 15.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -63.18 -40.01 96.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.69 125.51 82.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 130.41 19.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.468 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 4.8 p -61.91 117.09 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 m -66.65 -60.54 2.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.485 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 25.7 tttp -147.91 135.27 20.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.535 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -131.89 131.25 42.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 146.69 9.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 82.9 m95 -71.54 105.3 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.8 mt -106.99 174.65 5.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 2.6 m-85 -120.93 111.79 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -92.41 128.41 38.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.409 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 5.9 tt0 -68.71 142.84 54.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.2 110.2 22.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.6 p -99.59 -49.6 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 m -51.03 -49.5 60.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.27 -143.37 14.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.65 138.93 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 111.098 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.39 104.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -172.96 132.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.962 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.47 ' CD1' ' HD2' ' A' ' 84' ' ' ARG . 49.7 m95 -73.65 125.14 27.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -104.35 109.85 21.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 15.9 tttm -65.84 122.26 16.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -141.01 162.19 36.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 33.4 t-105 -77.08 115.31 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -100.64 136.77 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.1 t -139.54 127.08 25.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 41.8 tp -103.3 113.3 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 34.8 t -141.41 133.8 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.427 ' N ' HG11 ' A' ' 47' ' ' VAL . 3.3 m-20 61.4 54.76 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.9 mtm-85 45.14 27.45 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.473 ' SG ' ' CE ' ' A' ' 14' ' ' MET . 9.9 t -133.86 151.45 51.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 52' ' ' PHE . 3.6 tt -99.12 135.96 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 30.4 m-85 -136.77 119.38 16.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 33.2 p90 -110.96 124.32 51.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -112.93 150.21 32.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' N ' HD13 ' A' ' 63' ' ' LEU . 21.7 pttp -48.77 -35.27 13.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -144.41 -175.12 4.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -81.43 41.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -99.59 -40.14 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 60.24 48.12 8.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -101.59 -64.86 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 p -110.82 123.74 50.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.7 mt -72.45 123.79 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 75.9 mt -81.68 -43.78 18.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.11 125.05 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.465 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 p -105.22 138.77 40.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.45 HG22 ' CE2' ' A' ' 98' ' ' TYR . 23.8 mt -138.48 120.23 10.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.728 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 126.86 13.85 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.318 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.6 mt -95.96 -30.9 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.414 ' CD2' ' H ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -53.13 -15.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 12.9 m -117.38 30.02 7.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -134.92 176.93 8.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 91' ' ' GLU . 47.1 ttt85 -133.44 82.33 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.9 t -56.98 144.93 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.03 143.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.3 167.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.411 HG13 ' CG2' ' A' ' 87' ' ' THR . 4.3 m -88.22 158.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -98.76 158.21 32.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.703 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.86 3.16 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.722 2.281 . . . . 0.0 112.296 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.3 t -134.94 34.82 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -110.66 13.71 22.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 13.3 t-20 62.49 38.23 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.5 mm -102.3 103.51 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.3 p -83.68 40.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 39' ' ' TRP . 27.8 mtp85 -150.56 146.94 26.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -100.08 147.6 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.42 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 6.4 m-70 71.36 52.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.472 HG21 ' N ' ' A' ' 88' ' ' PHE . 53.2 m -119.42 155.93 31.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.472 ' N ' HG21 ' A' ' 87' ' ' THR . 13.1 p90 -145.97 131.29 18.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.488 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -113.97 145.99 40.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -103.87 147.04 27.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 72' ' ' ARG . 1.1 tt0 -142.31 135.18 28.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 70' ' ' SER . 6.7 t-160 -100.03 -20.23 16.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 70.84 28.59 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.56 -33.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 94.9 t -107.46 -64.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.516 ' HD2' ' CZ ' ' A' ' 98' ' ' TYR . 15.3 ptp180 -172.92 -179.34 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 92.6 m -125.36 109.63 13.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.516 ' CZ ' ' HD2' ' A' ' 96' ' ' ARG . 68.1 m-85 -82.38 159.39 23.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.488 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 59.2 m-85 -125.98 150.52 47.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 52.6 m-85 -156.19 116.4 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.4 t -95.47 161.56 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.76 135.47 45.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -51.85 -54.64 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.7 m -116.33 160.55 35.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.8 -28.63 24.82 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -63.6 -31.32 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.13 -43.97 18.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -52.24 -56.27 15.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.53 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 8.4 pt-20 -60.37 -50.51 73.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.53 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -52.85 -44.48 66.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.554 ' CE3' ' HE3' ' A' ' 115' ' ' MET . 38.1 m95 -62.16 -55.77 25.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.1 mt -45.72 -40.17 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -55.59 -45.5 77.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.84 -55.06 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.554 ' HE3' ' CE3' ' A' ' 111' ' ' TRP . 4.1 mtt -61.38 -61.26 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -43.31 -55.11 5.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -55.8 30.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.08 -15.59 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -85.49 -41.22 15.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -74.6 128.2 34.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.2 t -111.5 91.6 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.5 p -124.15 134.89 53.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -126.06 134.3 51.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.98 -164.3 12.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -48.59 144.27 4.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.856 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 p -123.92 163.08 22.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.89 -123.14 1.39 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.446 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.77 -177.65 38.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.469 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -143.29 113.69 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.317 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -146.32 174.0 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -118.75 45.46 2.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -49.92 -51.31 41.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 t -136.38 156.41 48.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.44 ' CE ' ' SG ' ' A' ' 50' ' ' CYS . 9.0 tpp -72.52 155.35 40.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.836 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -129.19 173.36 10.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 17' ' ' ASN . 10.2 tpt180 -138.48 155.05 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.438 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 35.9 m-80 -131.68 142.47 45.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -38.22 7.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.252 . . . . 0.0 112.364 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -61.92 -41.09 97.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.95 122.95 24.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 130.6 19.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.417 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 7.1 p -64.96 117.05 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.7 m -65.11 -60.0 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 41.3 tttp -152.74 132.22 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.57 138.68 48.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.11 150.67 12.54 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.488 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.3 m95 -70.61 104.61 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 44' ' ' PHE . 15.6 mt -104.9 178.27 4.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -122.73 103.27 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -77.33 158.23 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.492 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 6.5 tt0 -106.36 134.51 49.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.12 118.93 28.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.24 -18.01 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' VAL . 47.6 t -121.76 148.87 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.28 -81.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' SER . 50.5 t -73.69 160.93 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.937 0.399 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' N ' ' CG1' ' A' ' 36' ' ' VAL . 0.0 OUTLIER -133.25 52.82 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.464 ' HG2' ' CG1' ' A' ' 36' ' ' VAL . 20.6 pt20 -166.84 136.13 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.492 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 57.3 m95 -45.36 159.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -139.93 111.25 7.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -64.43 120.57 12.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -143.44 154.88 44.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.493 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 49.3 t-105 -73.33 119.84 18.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.511 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.1 m-85 -102.59 137.83 40.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -139.08 128.82 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.3 tp -103.24 113.21 26.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 48' ' ' ASP . 47.0 t -140.69 134.57 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.464 ' N ' HG12 ' A' ' 47' ' ' VAL . 6.1 m-20 59.07 54.88 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 45.51 27.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.44 ' SG ' ' CE ' ' A' ' 14' ' ' MET . 97.3 m -131.53 159.11 39.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.511 HD21 ' CD2' ' A' ' 44' ' ' PHE . 2.9 tt -105.76 134.05 49.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.446 ' N ' HD22 ' A' ' 51' ' ' LEU . 53.3 m-85 -135.98 119.47 16.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 28.4 p90 -108.98 125.88 52.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.555 ' CE2' HG12 ' A' ' 62' ' ' ILE . 52.8 m-85 -114.77 138.15 51.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -38.35 -37.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.418 ' HB2' ' CG ' ' A' ' 58' ' ' LYS . 18.2 m-20 -146.24 173.47 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.493 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 38.2 mt-10 -60.92 -27.63 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.418 ' CG ' ' HB2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -46.92 -39.77 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.484 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 27.2 mt-10 61.25 42.59 11.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -62.74 -56.1 20.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -138.6 137.85 37.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.555 HG12 ' CE2' ' A' ' 54' ' ' TYR . 89.6 mt -67.9 125.23 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 26.6 mt -78.77 -42.04 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.77 130.63 2.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.42 ' C ' HG13 ' A' ' 66' ' ' ILE . 19.5 p -99.69 148.83 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.846 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 65' ' ' SER . 47.7 mt -144.81 116.96 5.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 53.7 Cg_endo -69.84 122.69 9.34 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.318 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -94.73 -31.43 13.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.482 ' N ' HD21 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -54.37 -12.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.419 ' N ' HD21 ' A' ' 69' ' ' LEU . 32.5 p -123.29 41.02 3.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 67' ' ' PRO . 14.6 m-85 -143.8 -179.3 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -134.63 88.87 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.4 142.85 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.84 151.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' VAL . . . -62.05 141.91 57.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.427 HG12 ' CG2' ' A' ' 87' ' ' THR . 3.3 m -48.46 178.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -106.11 163.73 16.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 119.95 6.82 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t 75.0 40.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.24 18.21 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.4 m120 62.48 35.73 14.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 84' ' ' ARG . 28.0 mm -113.98 97.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' ILE . 17.4 m -38.24 -44.23 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 82' ' ' ILE . 36.3 mtp85 -65.51 175.56 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -116.98 -67.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.419 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.7 m-70 -72.49 83.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.487 HG23 ' N ' ' A' ' 88' ' ' PHE . 53.5 m -128.31 155.66 44.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 7.6 p90 -146.45 131.06 17.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -120.92 145.53 47.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.429 ' O ' ' CG2' ' A' ' 97' ' ' THR . . . -103.64 154.76 19.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -151.0 132.7 14.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -101.35 -16.09 17.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 69.05 48.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.3 -27.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.74 -65.2 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.098 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.489 ' HD3' ' CZ ' ' A' ' 98' ' ' TYR . 9.8 ptm180 -175.24 -178.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 90' ' ' ALA . 32.2 m -127.44 104.29 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.489 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 48.9 m-85 -79.42 155.5 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 16.9 m-85 -123.71 147.55 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 34.6 m-85 -155.25 124.26 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.3 t -109.9 169.63 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -134.79 132.72 39.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.78 -19.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 m -145.96 159.06 47.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.419 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.79 -35.18 13.03 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -58.96 -34.58 71.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -77.54 -40.53 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.74 -52.25 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.2 pt-20 -61.27 -49.65 76.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.51 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.21 -47.46 78.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.539 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 30.2 m95 -55.82 -47.74 76.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 116' ' ' GLY . 96.7 mt -57.74 -41.28 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -52.07 -46.51 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.02 -54.66 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 4.9 mtt -61.87 -59.98 4.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -43.81 -51.98 6.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.78 -53.67 43.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.19 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.77 -49.82 42.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -40.03 148.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.8 t -96.71 -14.66 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -138.32 135.28 35.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -164.28 131.86 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.33 43.3 0.98 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -135.13 138.98 44.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.391 . . . . 0.0 110.82 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 m -126.16 108.5 11.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.03 -158.9 40.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.12 101.61 1.56 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -110.97 101.65 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmm-85 -110.72 111.28 22.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.0 t -160.35 146.72 15.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.439 ' H ' ' CD2' ' A' ' 12' ' ' HIS . 4.7 p80 -109.36 83.48 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -145.93 161.74 39.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.909 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 95.4 mtp -135.47 178.12 7.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -165.28 169.16 16.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 17.8 ttt-85 -122.59 150.1 43.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.401 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 51.9 m-80 -102.48 139.73 20.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -41.0 4.65 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -59.62 -41.45 90.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.16 133.84 16.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.068 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 140.38 42.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.452 ' HA ' ' CG2' ' A' ' 47' ' ' VAL . 53.5 t -76.79 111.74 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.447 ' CG2' HD21 ' A' ' 46' ' ' LEU . 2.3 m -61.41 -56.57 18.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.514 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 31.1 tttp -159.12 142.66 14.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.42 144.14 49.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.91 150.27 7.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -74.58 109.63 8.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.813 0.34 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -111.85 176.79 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -115.8 120.04 37.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -96.41 118.54 33.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 5.7 tt0 -56.83 136.89 55.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.15 156.73 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 t -81.93 178.17 8.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.5 m -47.36 115.77 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.05 -94.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 m -87.04 156.06 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -107.17 106.08 16.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -174.42 174.05 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 84' ' ' ARG . 53.5 m95 -123.64 137.28 54.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -111.46 114.83 28.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -71.64 114.82 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -133.38 169.13 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.507 ' NE1' ' CG2' ' A' ' 45' ' ' VAL . 66.9 t-105 -83.12 119.46 24.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -105.09 138.43 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG2' ' NE1' ' A' ' 43' ' ' TRP . 88.5 t -140.26 128.53 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.447 HD21 ' CG2' ' A' ' 23' ' ' THR . 38.6 tp -103.94 114.2 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 22' ' ' VAL . 3.9 t -144.16 130.63 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 t0 65.83 54.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 45.45 27.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 68.3 m -135.89 158.33 44.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.463 ' HB2' ' CD1' ' A' ' 68' ' ' LEU . 3.0 tt -104.16 143.12 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 47.4 m-85 -139.52 119.23 13.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 13.9 p90 -107.31 118.32 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.565 ' CD2' ' HA ' ' A' ' 59' ' ' GLU . 88.1 m-85 -104.22 179.46 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.467 ' N ' HD11 ' A' ' 63' ' ' LEU . 16.6 pttm -80.2 -31.29 38.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -156.57 179.79 8.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.82 -14.89 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 59' ' ' GLU . 41.6 mttp -72.66 -25.14 61.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.565 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 0.2 OUTLIER 32.82 54.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.55 -63.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -124.72 132.17 53.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.9 mt -58.3 115.31 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.467 HD11 ' N ' ' A' ' 55' ' ' LYS . 28.2 mt -74.51 -38.55 62.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.466 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -170.29 119.62 0.82 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.417 ' C ' HG13 ' A' ' 66' ' ' ILE . 12.4 t -91.32 160.96 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.513 HD11 ' CE2' ' A' ' 98' ' ' TYR . 73.8 mt -148.22 115.94 4.0 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 105.8 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.725 2.284 . . . . 0.0 112.33 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 51' ' ' LEU . 91.0 mt -83.65 -30.25 27.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.427 ' CD1' HG23 ' A' ' 121' ' ' VAL . 5.4 tp -50.03 -16.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 36.4 t -118.14 33.14 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CZ ' ' HB3' ' A' ' 92' ' ' HIS . 21.9 m-85 -141.4 165.02 28.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -126.33 95.09 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.7 t -69.94 128.52 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.11 135.22 13.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.82 159.39 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -72.97 178.57 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.494 ' NE2' ' HD2' ' A' ' 78' ' ' PRO . 2.7 mm100 -107.09 165.15 13.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.494 ' HD2' ' NE2' ' A' ' 77' ' ' GLN . 53.5 Cg_endo -69.83 -12.86 33.61 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 m -128.04 53.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -117.24 169.1 9.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -83.15 49.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.2 mm -133.36 90.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t -44.85 -38.9 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 39' ' ' TRP . 50.6 mtt85 -60.6 171.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -109.91 -66.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -74.18 79.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.4 ' CG2' ' N ' ' A' ' 88' ' ' PHE . 18.5 m -130.73 153.15 49.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 8.7 p90 -144.89 131.29 19.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -122.4 137.03 55.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -100.71 120.03 39.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -106.78 138.88 42.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 70' ' ' SER . 7.6 t-80 -132.84 78.46 1.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -34.97 93.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 151.79 -26.87 0.93 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.517 HG22 ' CE1' ' A' ' 92' ' ' HIS . 92.6 t -127.61 -75.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.117 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -169.1 -175.92 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 60.3 m -125.45 109.51 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.513 ' CE2' HD11 ' A' ' 66' ' ' ILE . 58.9 m-85 -78.82 151.25 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 12.3 m-85 -123.34 138.93 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 29.3 m-85 -140.79 125.08 17.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t -110.09 147.02 34.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.29 151.19 37.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.58 -41.11 89.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m -125.51 158.98 62.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.749 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -21.21 33.56 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.289 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -71.16 -35.75 71.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -77.81 -40.3 40.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -57.52 -59.55 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.0 pt-20 -55.07 -47.96 74.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.487 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -58.35 -45.13 88.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.514 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 26.4 m95 -58.46 -41.87 86.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 116' ' ' GLY . 97.4 mt -62.07 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -47.22 -43.79 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.06 -53.38 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 119' ' ' ALA . 6.2 mtt -59.51 -63.89 1.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.71 -48.26 9.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.12 -32.71 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.71 -12.75 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 115' ' ' MET . . . -97.72 -25.06 15.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -89.74 134.03 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' A' ' 69' ' ' LEU . 25.1 t -85.05 76.86 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.739 0.304 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.674 ' HG3' HG11 ' A' ' 47' ' ' VAL . 59.8 ttt180 -66.79 108.55 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -50.31 144.64 11.37 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -25.17 28.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -112.32 38.06 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.75 126.07 29.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.566 0.698 . . . . 0.0 111.108 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 131.26 20.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.836 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.1 p -65.68 117.15 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.418 ' CG2' HD23 ' A' ' 46' ' ' LEU . 18.9 m -67.21 -60.58 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.548 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 39.7 tttp -153.22 138.46 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.514 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -132.65 143.79 49.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.46 146.05 6.9 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.4 m95 -70.72 117.78 12.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.8 0.333 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -123.94 168.75 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -108.9 114.23 27.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -94.06 119.18 32.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.93 147.52 33.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.794 0.33 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.48 ' HZ2' HG23 ' A' ' 82' ' ' ILE . 88.6 m95 -113.18 146.28 39.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -125.6 103.81 8.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -64.83 125.86 26.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -142.98 168.76 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.59 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 45.1 t-105 -88.55 117.74 27.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.721 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.4 m-85 -100.81 139.77 36.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 65.2 t -141.18 129.14 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 50' ' ' CYS . 19.4 tp -103.79 113.53 27.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' ' 22' ' ' VAL . 32.4 t -140.99 138.1 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 58.1 54.11 6.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 45.64 29.07 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.434 ' O ' HD12 ' A' ' 46' ' ' LEU . 87.1 m -136.42 155.01 50.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.721 HD21 ' CD2' ' A' ' 44' ' ' PHE . 2.4 tt -100.91 138.31 38.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.466 ' N ' HD23 ' A' ' 51' ' ' LEU . 27.0 m-85 -140.07 119.72 13.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -107.82 129.93 55.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -113.23 153.86 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -54.76 -32.26 59.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -153.82 176.66 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.52 -12.94 36.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -60.16 -35.4 75.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 58.81 44.34 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.53 -58.71 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -149.29 142.93 25.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.428 ' CD1' ' H ' ' A' ' 16' ' ' ARG . 92.9 mt -65.81 118.97 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.6 mt -79.89 -44.1 21.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.37 137.17 5.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.403 ' C ' HG13 ' A' ' 66' ' ' ILE . 69.0 m -116.3 144.96 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.403 HG13 ' C ' ' A' ' 65' ' ' SER . 17.3 mt -139.49 121.17 9.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.57 4.62 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.693 HD11 HD12 ' A' ' 51' ' ' LEU . 38.8 mt -90.18 -24.82 20.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 69' ' ' LEU . 6.5 tp -57.46 -11.79 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.1 m -121.5 40.06 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.447 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 25.1 m-85 -145.68 167.01 24.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -126.6 79.0 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' A' ' 90' ' ' ALA . 59.3 t -52.08 145.17 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.65 138.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.059 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.08 135.61 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.3 m -48.13 148.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -66.25 157.61 80.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 0.28 5.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.2 p -126.93 16.72 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -61.48 175.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -109.52 36.4 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.48 HG23 ' HZ2' ' A' ' 39' ' ' TRP . 3.7 mm -110.67 119.23 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -62.83 -48.68 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -65.2 145.72 55.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -93.38 176.11 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.402 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 9.3 m-70 54.61 53.6 10.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 88' ' ' PHE . 88.6 m -109.93 156.35 20.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -143.88 134.91 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -125.69 148.09 49.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.415 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -115.3 134.82 54.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -128.11 142.91 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.579 ' ND1' HG23 ' A' ' 95' ' ' VAL . 7.7 t-80 -108.34 -2.16 19.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 52.44 47.32 24.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -177.94 -40.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.579 HG23 ' ND1' ' A' ' 92' ' ' HIS . 79.4 t -100.34 -65.81 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -172.14 -178.42 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.9 m -127.76 109.83 12.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -82.75 162.62 21.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 12.7 m-85 -136.22 151.76 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 42.9 m-85 -155.92 117.08 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 t -92.91 157.96 16.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.14 138.21 46.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.23 -50.61 73.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -113.07 154.04 45.18 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.677 0.751 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.402 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.1 Cg_endo -69.77 -17.51 37.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -74.17 -37.79 63.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -71.16 -45.56 63.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -54.23 -58.9 5.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.4 pt-20 -53.82 -48.82 69.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.34 -44.53 80.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.548 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 32.5 m95 -60.0 -46.06 90.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.5 mt -58.35 -33.86 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -58.43 -44.02 88.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.81 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.408 ' HB3' HG21 ' A' ' 73' ' ' VAL . 5.8 mtt -63.23 -57.42 10.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -48.19 -49.92 23.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.53 -56.85 7.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.93 -24.68 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -73.28 -49.51 27.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 mttt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.332 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HE ' HG21 ' A' ' 47' ' ' VAL . 24.5 ttt180 -87.63 134.84 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -91.08 142.22 27.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -39.02 7.0 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -60.97 -41.31 96.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.45 132.3 53.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.582 0.706 . . . . 0.0 111.073 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 132.32 22.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.796 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.5 p -67.94 116.16 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.599 ' CG2' HD23 ' A' ' 46' ' ' LEU . 26.7 m -64.6 -56.95 10.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.565 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 21.5 tttp -152.03 136.18 16.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -129.15 137.39 51.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.053 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.5 149.53 9.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.523 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 69.9 m95 -72.38 108.55 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.1 mt -111.81 173.41 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 4.3 m-85 -120.85 131.4 54.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -109.0 118.67 37.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 8.6 tt0 -48.94 148.75 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.454 ' CZ2' ' HG3' ' A' ' 31' ' ' GLN . 69.1 m95 -137.24 113.65 10.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -86.04 127.13 34.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 11.3 tttp -88.6 125.74 34.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -142.92 158.64 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 53.2 t-105 -75.5 116.36 16.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.653 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.6 m-85 -100.58 137.15 39.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.42 129.6 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.599 HD23 ' CG2' ' A' ' 23' ' ' THR . 23.5 tp -103.39 113.66 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.796 HG22 ' HA ' ' A' ' 22' ' ' VAL . 23.4 t -141.21 132.49 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 t70 60.34 54.77 3.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.556 ' HA ' ' HB1' ' A' ' 118' ' ' ALA . 26.2 mtt85 46.07 25.57 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.511 ' O ' HD12 ' A' ' 46' ' ' LEU . 63.1 m -129.68 156.11 44.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.653 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.3 tt -106.33 130.82 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 42.3 m-85 -133.5 119.34 19.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 48.0 p90 -107.3 125.12 50.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.978 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' HG12 ' A' ' 62' ' ' ILE . 76.8 m-85 -108.29 143.0 37.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HB3' HD11 ' A' ' 63' ' ' LEU . 11.1 pttp -43.91 -34.01 1.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -143.2 -175.41 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 13.8 pt-20 -83.37 41.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -101.11 -31.33 11.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.473 ' HA ' ' CG ' ' A' ' 54' ' ' TYR . 41.2 mt-10 54.5 51.06 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -115.32 -61.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -105.56 115.95 31.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.5 HG12 ' CE2' ' A' ' 54' ' ' TYR . 32.7 mt -78.94 121.89 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 55' ' ' LYS . 38.6 mt -81.6 -39.4 24.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' HA3' ' CE1' ' A' ' 53' ' ' TYR . . . -155.4 139.44 6.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 66' ' ' ILE . 15.6 m -121.95 143.54 49.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 65' ' ' SER . 19.8 mt -140.11 120.4 9.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 96.81 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' A' ' 51' ' ' LEU . 84.5 mt -67.8 -31.41 71.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 tp -50.89 -16.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.576 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 4.5 m -117.29 37.86 3.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -142.13 174.71 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -133.07 90.77 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.705 HG21 ' HB3' ' A' ' 115' ' ' MET . 13.4 t -68.42 139.35 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.07 139.02 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.08 141.68 49.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.925 HG22 ' O ' ' A' ' 87' ' ' THR . 6.1 m -57.41 -176.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.45 ' CD ' ' HD2' ' A' ' 78' ' ' PRO . 2.1 mm100 -110.62 161.99 22.45 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.45 ' HD2' ' CD ' ' A' ' 77' ' ' GLN . 53.7 Cg_endo -69.77 -4.84 14.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.1 t -133.11 31.96 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -89.94 167.95 12.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -84.83 52.99 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.4 mm -133.61 103.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 t -45.12 -46.61 11.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.7 mtt85 -61.97 175.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -113.0 -62.14 1.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 10.1 m-70 -74.3 71.91 1.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.925 ' O ' HG22 ' A' ' 76' ' ' VAL . 16.7 m -128.53 146.75 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 3.8 p90 -138.03 139.23 39.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -122.58 145.81 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 97' ' ' THR . . . -104.18 128.23 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -119.0 131.54 56.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 70' ' ' SER . 10.9 t-160 -100.58 -15.41 17.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 59.3 41.06 20.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -164.54 -33.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.466 HG12 ' HD2' ' A' ' 96' ' ' ARG . 6.8 t -117.72 -65.47 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.466 ' HD2' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -168.37 -179.9 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 90' ' ' ALA . 43.4 m -126.58 112.99 16.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 15.2 m-85 -85.23 153.0 22.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 18.7 m-85 -121.0 145.51 47.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 39.2 m-85 -147.43 118.61 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -91.92 165.63 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.799 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -139.58 131.95 28.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -50.2 -52.9 31.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 m -116.59 159.33 40.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.695 0.759 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.7 Cg_endo -69.76 -26.49 27.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.59 -34.31 77.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -77.44 -39.85 45.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -56.42 -53.06 61.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.5 pt-20 -62.04 -48.63 79.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.493 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.28 -45.08 80.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.565 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 33.1 m95 -59.72 -44.65 93.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.25 -43.54 90.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -50.75 -44.22 58.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.65 -57.04 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.705 ' HB3' HG21 ' A' ' 73' ' ' VAL . 7.1 mtt -56.69 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -37.94 -53.69 1.99 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -65.13 -53.73 40.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 49' ' ' ARG . . . -59.76 -13.46 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.6 -38.35 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.813 0.339 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HD2' ' CD2' ' A' ' 52' ' ' PHE . 21.1 ttt-85 -116.97 145.23 43.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -108.74 142.7 26.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.941 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -38.18 8.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.58 -39.86 92.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.82 133.7 28.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.692 . . . . 0.0 111.089 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 130.92 20.18 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.8 ' HA ' HG22 ' A' ' 47' ' ' VAL . 99.2 t -66.93 116.27 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.538 ' CG2' HD23 ' A' ' 46' ' ' LEU . 24.9 m -64.84 -63.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.559 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 32.0 tttp -155.25 133.54 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.14 140.54 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.071 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.9 152.57 14.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.502 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 91.6 m95 -72.58 111.87 8.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -118.48 172.82 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -115.35 114.7 25.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -99.12 108.66 21.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 39' ' ' TRP . 3.7 tt0 -56.99 130.42 45.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.806 0.336 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.463 ' CE2' ' HG3' ' A' ' 31' ' ' GLN . 63.1 m95 -101.36 133.93 45.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -108.64 107.08 17.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 53.3 tttt -72.31 119.93 17.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.0 mmt-85 -140.87 159.38 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 38.6 t-105 -74.27 116.89 15.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.831 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.0 m-85 -101.68 137.99 39.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.3 t -139.46 129.11 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.538 HD23 ' CG2' ' A' ' 23' ' ' THR . 18.9 tp -103.72 114.06 28.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.8 HG22 ' HA ' ' A' ' 22' ' ' VAL . 20.5 t -140.94 132.42 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t70 63.17 53.2 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 46.83 29.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.497 ' O ' HD12 ' A' ' 46' ' ' LEU . 4.6 t -136.03 152.85 51.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.831 HD21 ' CD2' ' A' ' 44' ' ' PHE . 1.9 tt -99.34 137.81 37.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.564 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 38.1 m-85 -138.93 119.21 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.452 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 19.8 p90 -107.14 124.33 49.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 79.0 m-85 -104.29 160.9 14.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HB3' HD11 ' A' ' 63' ' ' LEU . 21.7 pttt -58.2 -38.86 77.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -150.36 178.62 8.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -61.19 -14.17 23.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -65.18 -29.59 70.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.552 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 27.8 mt-10 52.49 46.6 26.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.04 -53.94 48.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -150.41 137.59 19.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.418 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 73.4 mt -64.94 116.14 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 55' ' ' LYS . 78.2 mt -72.99 -39.64 65.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.47 142.74 8.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -114.72 151.81 33.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -145.62 117.0 5.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 123.29 9.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.642 HD11 HD12 ' A' ' 51' ' ' LEU . 64.6 mt -96.12 -23.79 16.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 69' ' ' LEU . 8.2 tp -53.73 -14.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -104.17 -26.14 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.544 ' CG ' ' HB2' ' A' ' 92' ' ' HIS . 17.9 m-85 -86.27 168.45 13.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.42 ' HE ' ' CG ' ' A' ' 91' ' ' GLU . 13.0 ptt180 -130.24 70.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.663 HG21 ' HB3' ' A' ' 115' ' ' MET . 95.3 t -36.56 149.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.02 127.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.03 146.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 87' ' ' THR . 9.9 m -57.87 167.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -102.0 157.9 32.81 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.68 3.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 m -127.3 25.2 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -97.88 161.27 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -86.26 38.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.406 ' O ' HG22 ' A' ' 82' ' ' ILE . 37.9 mm -112.28 84.84 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 t -49.82 -44.61 49.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -50.86 154.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.437 ' HD3' ' NE2' ' A' ' 86' ' ' HIS . 3.7 ptpt -103.91 163.74 12.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.437 ' NE2' ' HD3' ' A' ' 85' ' ' LYS . 3.9 m-70 52.57 50.93 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.823 ' O ' HG22 ' A' ' 76' ' ' VAL . 51.6 m -115.07 148.92 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -139.63 138.88 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -119.02 146.96 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -109.89 120.61 43.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.42 ' CG ' ' HE ' ' A' ' 72' ' ' ARG . 3.0 pt-20 -107.47 138.26 44.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.544 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 6.6 t-160 -134.55 78.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -33.4 93.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 152.62 -31.61 0.84 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.28 -75.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.109 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -171.83 -174.98 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.9 m -122.08 107.85 12.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -79.93 154.81 28.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 24.7 m-85 -124.06 145.42 49.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -147.74 117.9 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 t -96.88 162.77 13.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 108' ' ' GLN . . . -136.14 133.37 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.83 -50.2 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 m -118.7 158.27 47.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.405 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.6 Cg_endo -69.74 -17.72 37.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -71.57 -35.91 70.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.81 -47.12 22.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 17.9 tt0 -51.26 -63.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.6 pt-20 -53.45 -49.66 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.514 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -57.31 -36.26 70.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.559 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 31.0 m95 -67.5 -48.15 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.0 mt -55.8 -38.84 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -53.09 -46.74 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.98 -55.01 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.663 ' HB3' HG21 ' A' ' 73' ' ' VAL . 4.2 mtt -58.41 -62.5 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -39.74 -50.69 3.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.28 -56.9 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.4 -24.72 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -83.07 -41.45 18.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.746 0.308 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.723 ' NE ' HG21 ' A' ' 47' ' ' VAL . 10.7 ttt180 -101.84 116.16 32.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -67.18 141.89 96.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.651 0.739 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.54 5.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -60.51 -40.77 92.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.17 129.02 40.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.543 0.687 . . . . 0.0 111.148 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.16 20.67 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.722 2.282 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.803 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.6 p -69.15 114.07 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 m -59.86 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.571 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 9.1 tttm -146.24 145.24 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.789 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -133.75 138.55 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.75 141.98 5.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.552 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 62.5 m95 -71.45 107.73 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 111' ' ' TRP . 46.0 mt -113.93 178.63 4.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 41' ' ' LYS . 19.6 m-85 -120.29 136.73 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -113.8 121.6 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.68 139.2 56.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HG2' ' HB2' ' A' ' 32' ' ' ALA . 2.0 pt20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.664 ' CD1' ' CZ ' ' A' ' 84' ' ' ARG . 88.8 m95 -143.61 105.01 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -95.17 106.26 18.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 35.6 tttt -59.76 123.76 17.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -145.06 154.12 42.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.789 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 49.0 t-105 -72.77 121.13 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.458 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -103.83 146.05 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -147.74 128.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 50' ' ' CYS . 25.1 tp -103.31 113.18 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.803 HG22 ' HA ' ' A' ' 22' ' ' VAL . 36.9 t -141.36 133.69 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 57.61 54.96 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 45.7 27.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.41 ' O ' HD12 ' A' ' 46' ' ' LEU . 52.8 m -132.83 149.02 52.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.722 HD12 HD11 ' A' ' 68' ' ' LEU . 3.8 tt -101.4 129.24 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CD2' ' HB2' ' A' ' 16' ' ' ARG . 30.1 m-85 -130.93 119.56 22.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 40.2 p90 -106.66 125.76 51.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.484 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 96.5 m-85 -110.72 147.08 35.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.702 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -54.36 -29.21 47.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 4.0 p30 -146.53 167.26 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.23 -13.05 46.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -59.02 -36.85 75.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 60.88 51.83 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.81 -49.9 13.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -145.87 137.91 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.484 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 61.2 mt -72.19 118.77 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 55' ' ' LYS . 65.3 mt -72.9 -44.13 61.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.5 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -155.03 124.96 1.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.2 p -99.24 140.04 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.7 mt -138.51 118.09 9.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.647 0.737 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 126.01 12.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.722 HD11 HD12 ' A' ' 51' ' ' LEU . 80.2 mt -101.41 -23.43 14.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.974 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.409 ' O ' HD12 ' A' ' 69' ' ' LEU . 5.2 tp -57.06 -12.19 1.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 19.9 m -119.88 34.06 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -137.85 175.11 9.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 91' ' ' GLU . 60.1 ttm-85 -134.91 84.97 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.808 HG21 ' HB3' ' A' ' 115' ' ' MET . 46.8 t -56.51 143.68 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.29 135.43 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.28 137.5 57.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 87' ' ' THR . 5.9 m -46.54 153.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -87.1 157.9 53.39 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 2.14 3.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.2 p -109.22 -16.88 13.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -53.45 169.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -113.64 33.66 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mm -88.92 103.65 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.6 m -40.73 -39.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.664 ' CZ ' ' CD1' ' A' ' 39' ' ' TRP . 27.5 mtt85 -62.82 178.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -119.17 -64.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.6 m-70 -77.19 81.08 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.493 ' O ' ' NE2' ' A' ' 108' ' ' GLN . 52.1 m -130.79 157.56 42.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 4.1 p90 -144.84 131.21 19.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 16.9 pttt -112.8 137.04 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -104.99 122.21 45.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' ARG . 3.0 pt-20 -118.72 151.3 38.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 70' ' ' SER . 13.7 t-80 -120.98 1.48 10.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 45.35 47.42 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.2 -30.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.433 HG23 ' ND1' ' A' ' 92' ' ' HIS . 25.1 t -108.88 -70.3 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.527 ' CG ' ' N ' ' A' ' 97' ' ' THR . 15.3 ttm180 -172.44 165.2 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.527 ' N ' ' CG ' ' A' ' 96' ' ' ARG . 28.3 m -116.17 106.31 13.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -86.94 163.86 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 34.2 m-85 -127.59 153.39 46.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 78.2 m-85 -155.46 122.63 5.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 t -98.51 159.68 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 108' ' ' GLN . . . -133.54 121.04 21.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -39.88 -50.43 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -115.91 157.08 45.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.659 0.742 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.79 -19.87 35.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.367 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -75.04 -33.29 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.49 -48.75 38.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 15.7 tt0 -51.79 -58.39 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.522 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.2 pt-20 -55.87 -49.86 72.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.522 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.0 -43.88 73.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 39.4 m95 -61.18 -58.23 9.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 116' ' ' GLY . 85.4 mt -41.54 -38.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -56.09 -44.89 79.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.0 -47.02 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.808 ' HB3' HG21 ' A' ' 73' ' ' VAL . 8.9 mtt -68.9 -63.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -42.93 -44.57 5.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -73.24 -61.89 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.14 -29.86 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 120' ' ' ARG . . . -66.25 -45.17 81.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' ALA . 17.9 mtp85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.777 0.322 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.788 ' HE ' HG21 ' A' ' 47' ' ' VAL . 37.6 ttt-85 -89.67 140.39 29.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.41 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 88.6 m-20 -79.34 151.05 74.76 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.719 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -39.69 6.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -97.55 41.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -109.15 122.99 38.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.56 0.695 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 131.3 20.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.887 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.5 p -67.88 114.57 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -64.37 -56.33 15.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 40.4 tttp -155.25 132.33 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.922 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -124.11 143.77 50.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.09 140.65 3.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.454 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 72.3 m95 -71.18 112.4 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 mt -117.96 173.94 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -109.6 127.54 54.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -103.29 109.12 20.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.495 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 7.2 tt0 -55.06 140.0 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.813 0.339 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.495 ' CZ2' ' HG3' ' A' ' 31' ' ' GLN . 80.9 m95 -117.77 126.48 52.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -99.79 115.88 30.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -81.03 117.25 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -138.75 162.25 35.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.922 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 47.5 t-105 -75.32 115.82 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.4 m-85 -102.1 134.15 45.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.412 ' CG2' ' NE1' ' A' ' 43' ' ' TRP . 37.9 t -138.57 131.04 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 50' ' ' CYS . 24.7 tp -103.37 113.33 26.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.887 HG22 ' HA ' ' A' ' 22' ' ' VAL . 76.4 t -140.4 135.86 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 60.2 53.32 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.516 ' HG3' ' HB1' ' A' ' 118' ' ' ALA . 23.9 ttp180 45.35 31.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.588 ' O ' HD12 ' A' ' 46' ' ' LEU . 11.5 m -138.4 155.19 48.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.7 tt -100.68 131.3 46.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' N ' HD23 ' A' ' 51' ' ' LEU . 24.8 m-85 -131.43 119.39 21.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 42.2 p90 -105.98 123.08 47.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -109.77 164.47 12.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -63.37 -35.2 79.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -153.95 -177.68 6.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.47 -17.42 63.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -58.58 -38.54 78.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 57.01 49.68 13.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -65.89 -44.89 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 m -155.16 146.25 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 16' ' ' ARG . 61.4 mt -73.08 115.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 18.4 mt -72.5 -35.59 68.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.407 ' HA3' ' CE1' ' A' ' 53' ' ' TYR . . . -166.21 129.99 2.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.438 ' C ' HG13 ' A' ' 66' ' ' ILE . 77.3 p -103.57 150.37 24.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.833 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.438 HG13 ' C ' ' A' ' 65' ' ' SER . 68.1 mt -147.46 115.36 4.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.12 4.9 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 51' ' ' LEU . 33.7 mt -86.27 -27.71 24.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 tp -50.52 -16.93 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.429 ' HB2' ' NE2' ' A' ' 92' ' ' HIS . 15.5 p -104.7 -23.5 13.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.961 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 18.0 m-85 -87.58 163.44 16.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.449 ' NH1' ' OE2' ' A' ' 91' ' ' GLU . 3.1 ptm180 -128.39 70.82 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' A' ' 115' ' ' MET . 51.3 t -40.02 145.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.99 130.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.73 167.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 87' ' ' THR . 0.1 OUTLIER -88.36 -175.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -125.28 154.87 72.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.41 5.65 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.4 m -106.18 -2.58 22.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.79 165.64 14.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -88.18 48.47 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.552 HG13 HG11 ' A' ' 76' ' ' VAL . 30.8 mm -94.57 129.49 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.3 m -80.3 -37.7 32.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -84.17 153.69 23.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -81.28 -63.72 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 4.4 m-70 -78.94 84.81 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.604 ' O ' HG22 ' A' ' 76' ' ' VAL . 23.8 m -130.17 159.2 37.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.491 ' N ' HG22 ' A' ' 87' ' ' THR . 2.7 p90 -153.32 132.82 12.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.34 146.41 43.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.538 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -110.91 139.39 46.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.449 ' OE2' ' NH1' ' A' ' 72' ' ' ARG . 8.8 pm0 -131.76 156.89 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.594 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 23.6 t-160 -116.92 -0.26 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.806 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 54.6 49.18 18.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.65 -41.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 68.5 t -91.93 -74.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.57 ' HD2' ' CE2' ' A' ' 98' ' ' TYR . 17.8 ptp180 -165.64 -177.51 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.2 m -130.16 109.19 10.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.57 ' CE2' ' HD2' ' A' ' 96' ' ' ARG . 26.5 m-85 -85.17 153.94 22.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.562 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 34.1 m-85 -120.47 150.31 41.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 36.9 m-85 -154.2 116.42 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.1 t -104.17 157.73 16.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.44 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.45 -42.44 83.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.1 m -118.77 152.92 52.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.72 0.771 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.76 -21.35 33.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -72.4 -16.92 61.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -92.39 -50.71 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -50.54 -54.09 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.1 pt-20 -58.99 -50.16 75.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.521 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -58.21 -35.1 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.534 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.5 m95 -70.87 -42.16 70.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 116' ' ' GLY . 92.3 mt -61.4 -40.37 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -53.46 -46.72 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.21 -52.74 8.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.815 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.9 mtt -63.29 -61.48 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -45.16 -50.23 9.54 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -67.28 -52.46 40.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.516 ' HB1' ' HG3' ' A' ' 49' ' ' ARG . . . -56.75 -23.71 44.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.961 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -80.6 -32.93 36.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.568 ' HD2' ' CD2' ' A' ' 52' ' ' PHE . 34.2 ttt-85 -109.73 145.14 37.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -104.7 141.57 22.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -41.77 3.95 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -58.68 -40.37 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.39 130.85 18.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 134.2 27.36 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.653 2.236 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.773 ' HA ' HG22 ' A' ' 47' ' ' VAL . 88.9 t -68.91 115.86 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.475 ' CG2' HD23 ' A' ' 46' ' ' LEU . 3.9 m -66.76 -60.44 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.564 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 48.2 tttp -147.19 145.86 29.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -140.18 127.84 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.14 148.07 10.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 71.7 m95 -72.2 113.4 9.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 mt -116.2 171.93 7.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -117.12 121.64 41.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -107.75 114.28 28.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.24 148.56 18.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.815 0.341 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.451 ' CD1' ' NH1' ' A' ' 84' ' ' ARG . 82.7 m95 -58.78 116.27 3.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -95.04 117.04 29.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -78.11 114.21 16.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -134.45 160.01 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 42.3 t-105 -77.92 116.31 18.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.7 m-85 -100.55 147.32 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.3 t -148.28 138.13 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.475 HD23 ' CG2' ' A' ' 23' ' ' THR . 24.5 tp -110.98 113.25 25.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.773 HG22 ' HA ' ' A' ' 22' ' ' VAL . 15.2 t -142.31 136.56 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 57.45 53.63 7.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.693 ' HG3' ' HB1' ' A' ' 118' ' ' ALA . 11.9 ttm180 45.73 27.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 69.5 m -134.15 149.55 51.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.653 HD12 HD11 ' A' ' 68' ' ' LEU . 3.8 tt -98.61 137.17 37.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 45.2 m-85 -137.98 119.77 15.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 37.8 p90 -104.69 121.75 44.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 79.7 m-85 -103.72 163.65 12.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -61.25 -32.24 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -162.11 -176.13 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.2 -30.43 68.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -47.38 -34.24 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.499 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 33.5 mt-10 53.8 46.23 26.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -60.34 -60.09 4.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 t -148.52 141.72 25.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.501 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 96.4 mt -66.64 126.53 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 59.2 mt -82.5 -38.61 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.01 139.66 6.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.435 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 p -114.28 141.56 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 31.9 mt -139.7 122.25 10.2 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 124.6 11.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.653 HD11 HD12 ' A' ' 51' ' ' LEU . 28.4 mt -94.78 -25.56 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.757 HD23 ' N ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -58.93 -9.9 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.757 ' N ' HD23 ' A' ' 69' ' ' LEU . 1.8 t -117.78 25.79 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.475 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 29.9 m-85 -137.64 159.03 43.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -116.0 76.04 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.2 t -49.12 146.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.27 156.56 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.26 163.59 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 82' ' ' ILE . 1.8 m -78.12 167.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -113.88 159.5 35.71 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.557 0.694 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -4.25 13.7 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.4 p -104.9 -16.21 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.0 164.62 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -83.89 47.37 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.523 HG13 HG11 ' A' ' 76' ' ' VAL . 48.6 mm -121.64 111.38 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.7 m -70.66 -40.74 72.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.451 ' NH1' ' CD1' ' A' ' 39' ' ' TRP . 29.0 mtt85 -50.05 178.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -116.5 -68.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.414 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.8 m-70 -75.76 72.3 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.474 ' HB ' HG21 ' A' ' 76' ' ' VAL . 34.6 m -126.39 157.86 37.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.474 ' N ' HG22 ' A' ' 87' ' ' THR . 2.5 p90 -150.93 131.94 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.71 146.59 43.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 97' ' ' THR . . . -107.13 148.4 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 92' ' ' HIS . 2.5 tt0 -142.61 150.45 40.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.549 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 3.4 t-80 -116.13 -22.46 8.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 74.77 49.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.84 -26.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.465 HG23 ' ND1' ' A' ' 92' ' ' HIS . 52.6 t -113.15 -66.64 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 111.127 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.501 ' NH1' ' CE1' ' A' ' 98' ' ' TYR . 7.8 ptm180 -174.3 179.66 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 90' ' ' ALA . 82.2 m -126.49 106.88 9.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.501 ' CE1' ' NH1' ' A' ' 96' ' ' ARG . 53.2 m-85 -78.94 154.68 29.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 36.5 m-85 -122.78 151.7 41.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 36.4 m-85 -152.65 119.28 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.9 t -104.85 141.99 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 108' ' ' GLN . . . -116.77 133.95 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -52.06 -54.2 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.0 m -110.51 157.48 38.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.79 -18.4 36.88 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -72.26 -37.74 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.35 -38.26 56.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 15.8 tt0 -59.97 -57.28 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.6 pt-20 -57.31 -47.75 80.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.97 -52.14 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.564 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 25.7 m95 -51.22 -44.03 61.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 116' ' ' GLY . 78.9 mt -62.3 -38.01 80.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -56.53 -47.87 78.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.98 -51.58 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 6.7 mtt -64.03 -61.82 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -39.59 -51.02 3.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.74 -61.12 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.693 ' HB1' ' HG3' ' A' ' 49' ' ' ARG . . . -50.73 -25.75 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -78.67 -46.4 19.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.826 0.346 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.886 ' HB3' HD11 ' A' ' 62' ' ' ILE . 13.5 ttt180 -124.33 145.56 49.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.448 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 43.7 m-80 -95.33 142.16 24.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -40.35 5.39 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -59.82 -41.8 92.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.37 126.07 15.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.521 0.677 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 131.28 20.94 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.685 2.256 . . . . 0.0 112.304 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.853 ' HA ' HG22 ' A' ' 47' ' ' VAL . 85.9 t -66.27 117.67 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.0 m -64.85 -58.3 6.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -148.89 134.47 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -127.16 149.6 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.4 142.08 3.56 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 60.5 m95 -70.68 105.87 3.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' A' ' 111' ' ' TRP . 47.0 mt -105.81 175.02 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 1.9 m-85 -125.46 108.28 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HG3' ' CE1' ' A' ' 100' ' ' PHE . 21.7 ttpp -93.49 114.3 26.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -44.86 141.62 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -61.9 146.87 48.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -124.49 110.33 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 3.7 ttpm? -73.29 124.27 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -139.85 157.85 45.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.628 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 43.8 t-105 -72.09 112.5 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.749 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.33 137.68 38.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.408 HG13 HG13 ' A' ' 22' ' ' VAL . 53.8 t -139.64 131.08 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 50' ' ' CYS . 44.4 tp -103.24 113.18 26.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.853 HG22 ' HA ' ' A' ' 22' ' ' VAL . 54.3 t -140.41 135.46 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t70 56.51 53.93 8.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 45.5 34.05 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.544 ' O ' HD12 ' A' ' 46' ' ' LEU . 35.9 t -138.93 150.14 45.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.749 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.6 tt -99.15 128.06 45.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' A' ' 50' ' ' CYS . 28.9 m-85 -131.02 119.34 21.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.65 ' CE1' HD12 ' A' ' 63' ' ' LEU . 6.6 p90 -105.69 127.27 52.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.478 ' CD2' ' HA ' ' A' ' 59' ' ' GLU . 75.9 m-85 -113.7 140.49 48.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.716 ' N ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -40.25 -40.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.441 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 2.2 t70 -145.15 -176.7 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -65.97 -20.7 66.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -55.78 -42.72 75.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 33.6 mt-10 62.34 49.29 4.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -60.01 -58.55 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -147.8 125.95 12.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.886 HD11 ' HB3' ' A' ' 16' ' ' ARG . 34.4 mt -47.94 111.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.716 HD11 ' N ' ' A' ' 55' ' ' LYS . 15.3 mt -66.27 -49.56 66.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.85 115.8 0.69 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.487 ' OG ' HG21 ' A' ' 62' ' ' ILE . 14.6 m -86.87 138.42 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 110.873 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.7 mt -130.17 112.96 17.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.652 0.739 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 121.01 7.71 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.357 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.722 HD11 HD12 ' A' ' 51' ' ' LEU . 30.9 mt -94.01 -26.7 16.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.69 -16.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 32.0 p -119.53 42.79 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.51 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 23.4 m-85 -146.52 169.78 18.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -128.64 81.23 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 115' ' ' MET . 45.9 t -56.54 146.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.76 133.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.31 164.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.449 HG21 ' HB ' ' A' ' 87' ' ' THR . 3.8 m -86.16 164.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -114.0 158.86 38.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.54 4.33 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.393 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.0 t -114.65 -4.85 12.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.91 18.29 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.0 m120 52.12 33.48 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.6 mm -97.86 94.26 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.9 p -50.15 -39.26 42.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -63.33 -178.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -127.04 -60.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.9 m-70 -77.92 69.6 4.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 88' ' ' PHE . 98.3 m -131.63 156.56 45.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -137.09 131.56 32.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -105.32 132.14 51.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 97' ' ' THR . . . -111.49 137.31 49.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 pm0 -137.07 153.51 50.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 70' ' ' SER . 7.6 t-80 -116.57 2.09 12.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 48.5 31.72 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.72 -43.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.52 HG23 ' ND1' ' A' ' 92' ' ' HIS . 89.1 t -99.93 -64.0 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.808 0.337 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.496 ' HD3' ' CZ ' ' A' ' 98' ' ' TYR . 9.6 ptm180 -174.13 -175.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 90' ' ' ALA . 95.8 m -127.14 114.92 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.496 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 61.6 m-85 -89.98 172.04 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 33.9 m-85 -142.04 147.56 37.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 9.2 m-85 -150.94 124.07 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -102.82 159.75 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.13 124.03 39.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -49.74 -25.82 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 p -134.74 156.13 78.86 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.649 0.738 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.76 -35.29 12.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.648 2.232 . . . . 0.0 112.379 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -61.01 -38.04 84.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -69.38 -46.27 67.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.06 -62.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.7 pt-20 -52.27 -50.5 62.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.521 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.34 -42.35 73.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.409 ' CE2' HD11 ' A' ' 28' ' ' LEU . 35.1 m95 -61.21 -57.96 10.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 116' ' ' GLY . 85.6 mt -44.88 -41.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.56 -49.46 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.21 -51.51 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.501 ' HB3' HG21 ' A' ' 73' ' ' VAL . 9.5 mtt -63.56 -62.27 1.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.17 -46.3 8.1 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -70.86 -55.27 8.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.95 -31.63 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -67.5 -47.78 69.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.2 mttp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.665 ' HE ' HG21 ' A' ' 47' ' ' VAL . 46.9 ttt-85 -106.6 137.06 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 55.5 m-20 -76.08 154.33 84.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -33.51 16.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -106.85 38.81 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -99.24 124.32 45.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 111.073 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 140.59 43.28 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.839 ' HA ' HG22 ' A' ' 47' ' ' VAL . 76.6 t -78.72 108.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' LEU . 4.2 m -58.14 -57.13 14.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 41.0 tttp -156.42 132.13 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.516 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -121.61 149.95 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.22 141.62 3.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 76.1 m95 -71.75 123.84 23.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.5 mt -129.61 178.42 6.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -119.29 118.44 31.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -98.72 105.27 17.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -51.59 139.68 20.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.79 0.328 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -117.59 136.44 53.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -119.41 112.15 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -77.93 120.4 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -138.06 161.21 37.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.578 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 31.8 t-105 -75.35 115.22 14.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.54 135.3 42.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.1 t -138.14 130.47 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 50' ' ' CYS . 27.0 tp -103.34 113.47 26.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.839 HG22 ' HA ' ' A' ' 22' ' ' VAL . 55.1 t -140.03 136.87 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 57.7 54.39 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 46.09 26.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.584 ' O ' HD12 ' A' ' 46' ' ' LEU . 4.5 t -132.29 156.21 46.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.697 HD12 HD11 ' A' ' 68' ' ' LEU . 1.9 tt -102.54 136.1 42.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 50' ' ' CYS . 18.7 m-85 -137.24 121.46 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.442 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 50.7 p90 -109.26 123.55 49.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.517 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 75.9 m-85 -108.54 154.34 22.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -56.92 -29.21 62.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.449 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 6.3 p30 -150.31 -175.14 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -83.0 38.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -102.66 -25.73 13.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 54.4 mt-10 45.15 53.2 8.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -99.34 -54.8 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -127.36 115.01 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.517 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 87.3 mt -65.01 116.34 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.419 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 18.2 mt -69.24 -37.49 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -167.2 126.01 1.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 p -102.7 128.94 49.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.4 mt -117.53 115.75 37.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.466 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 54.4 Cg_endo -69.72 119.01 6.03 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.697 HD11 HD12 ' A' ' 51' ' ' LEU . 23.4 mt -94.41 -25.06 17.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 69' ' ' LEU . 9.6 tp -52.23 -15.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 92' ' ' HIS . 15.8 p -125.19 40.73 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 67' ' ' PRO . 17.0 m-85 -140.66 -179.26 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -134.99 102.02 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.463 HG21 ' HB3' ' A' ' 115' ' ' MET . 16.3 t -87.8 137.18 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.02 143.99 3.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.03 158.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 87' ' ' THR . 1.9 m -72.52 174.49 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -114.88 156.56 44.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.4 16.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.2 p -105.5 -7.53 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.16 165.0 25.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 81' ' ' ASN . 2.0 p-10 -90.63 55.25 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.1 mm -126.87 98.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 p -78.43 1.24 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -97.62 129.37 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -80.05 152.62 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 69.14 55.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.539 ' O ' HG22 ' A' ' 76' ' ' VAL . 55.8 m -123.03 155.41 36.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 6.8 p90 -148.07 138.68 22.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.4 OUTLIER -116.15 146.8 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -123.09 122.13 37.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.703 ' HB3' HG23 ' A' ' 97' ' ' THR . 2.9 pm0 -140.82 136.83 32.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.58 ' HB3' HG22 ' A' ' 95' ' ' VAL . 74.9 t60 -83.49 -6.49 59.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 69.66 54.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.59 -20.08 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.643 HG23 ' N ' ' A' ' 96' ' ' ARG . 21.4 m -111.86 -56.39 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 111.138 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.643 ' N ' HG23 ' A' ' 95' ' ' VAL . 7.7 ptm180 -176.87 -179.89 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.703 HG23 ' HB3' ' A' ' 91' ' ' GLU . 63.5 m -134.81 104.39 5.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.433 ' CE2' ' HD3' ' A' ' 96' ' ' ARG . 51.8 m-85 -82.49 160.63 22.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 55.1 m-85 -134.46 147.56 50.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 16.6 m-85 -150.38 122.04 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.8 t -104.84 156.24 18.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -127.53 144.22 51.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.94 -36.87 85.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.1 p -124.06 153.26 67.87 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.686 0.755 . . . . 0.0 110.8 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -25.26 28.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.278 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.55 -17.31 62.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -90.9 -46.95 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -53.36 -57.99 8.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.3 pt-20 -56.82 -49.09 76.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.509 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.55 -43.8 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.519 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 36.9 m95 -60.29 -52.92 63.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 67.0 mt -49.8 -44.46 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -49.25 -42.85 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.35 -54.79 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.463 ' HB3' HG21 ' A' ' 73' ' ' VAL . 5.5 mtt -58.7 -61.95 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -42.65 -48.86 5.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -67.16 -54.61 19.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.24 -15.3 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.68 -41.76 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 29.7 mtp85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.87 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 pttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.736 0.303 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 27.6 ttt-85 -128.2 141.67 51.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -97.77 141.93 23.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.37 7.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -59.96 -41.74 92.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.29 129.23 17.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 130.85 20.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.843 ' HA ' HG22 ' A' ' 47' ' ' VAL . 86.4 t -66.31 117.35 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.9 m -64.23 -52.13 60.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -156.79 139.54 15.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.692 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -132.0 140.65 49.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.07 143.6 6.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.547 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 84.3 m95 -72.75 107.5 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.7 mt -112.33 176.03 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -117.1 114.66 24.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -90.97 126.66 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.22 138.3 43.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.065 179.906 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.811 0.339 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -115.1 138.48 50.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -120.31 95.54 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.408 ' C ' ' HG2' ' A' ' 42' ' ' ARG . 77.4 tttt -54.98 123.75 14.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 41' ' ' LYS . 11.8 mmt180 -145.27 156.35 43.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.692 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 61.1 t-105 -73.69 115.19 12.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.672 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.4 m-85 -100.53 139.93 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.7 t -140.48 131.23 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.087 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.9 tp -103.54 113.78 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.843 HG22 ' HA ' ' A' ' 22' ' ' VAL . 46.7 t -141.07 135.55 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 t70 55.53 54.83 7.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 19.1 mtm105 45.7 27.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 5.3 t -131.82 149.1 52.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.672 HD21 ' CD2' ' A' ' 44' ' ' PHE . 2.7 tt -98.17 132.44 43.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 40.4 m-85 -135.15 119.22 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 31.3 p90 -108.25 127.71 54.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.538 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 63.4 m-85 -115.5 142.84 46.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HE3' ' CE ' ' A' ' 58' ' ' LYS . 9.6 pttp -44.47 -32.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -148.13 -178.85 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.432 ' O ' ' CD ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -79.76 44.1 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.481 ' CE ' ' HE3' ' A' ' 55' ' ' LYS . 2.3 ptmm? -103.31 -33.8 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.538 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 36.2 mt-10 53.91 45.4 27.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -101.22 -57.78 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.0 p -115.25 123.5 48.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 16' ' ' ARG . 73.9 mt -79.05 116.71 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.585 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 56.6 mt -77.95 -45.89 22.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.453 ' HA3' ' CE2' ' A' ' 53' ' ' TYR . . . -152.88 136.24 5.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.438 ' C ' HG13 ' A' ' 66' ' ' ILE . 11.7 t -120.71 146.83 46.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 110.858 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.569 ' CD1' ' CZ ' ' A' ' 98' ' ' TYR . 36.6 mt -143.71 123.38 7.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.191 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 121.43 8.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.559 HD11 HD12 ' A' ' 51' ' ' LEU . 31.0 mt -92.94 -26.16 17.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -53.89 -14.94 1.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 89.3 p -123.07 42.89 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.597 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 25.5 m-85 -147.29 155.25 41.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -112.76 80.41 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.82 135.27 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.58 137.83 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.53 143.93 18.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 87' ' ' THR . 11.6 m -53.04 154.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -87.65 157.68 52.04 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.19 2.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 t -127.64 32.05 5.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -108.03 164.25 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -85.78 46.45 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.1 mm -124.4 86.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.9 p -54.43 -44.69 72.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -57.22 121.85 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -80.11 163.65 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.431 ' CD2' ' HD3' ' A' ' 105' ' ' PRO . 6.9 m-70 66.71 46.61 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 88' ' ' PHE . 72.6 m -118.06 157.04 27.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.483 ' N ' HG22 ' A' ' 87' ' ' THR . 5.2 p90 -148.36 131.3 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.588 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -114.34 146.69 40.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.708 ' O ' HG23 ' A' ' 97' ' ' THR . . . -105.8 152.85 22.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 92' ' ' HIS . 1.5 tt0 -147.47 143.61 28.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.591 ' ND1' HG23 ' A' ' 95' ' ' VAL . 4.4 t-80 -109.82 -20.92 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 73.57 41.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.074 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -177.08 -28.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.591 HG23 ' ND1' ' A' ' 92' ' ' HIS . 46.1 t -109.91 -65.6 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -174.64 -178.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 90' ' ' ALA . 60.4 m -127.72 105.46 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.569 ' CZ ' ' CD1' ' A' ' 66' ' ' ILE . 56.3 m-85 -78.87 156.44 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 20.1 m-85 -125.41 151.51 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 18.8 m-85 -155.91 116.25 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.9 t -95.64 161.28 14.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.08 127.29 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -46.73 -50.73 17.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 p -116.6 155.87 48.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.431 ' HD3' ' CD2' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.74 -21.24 33.86 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.688 2.258 . . . . 0.0 112.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.59 -31.54 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -81.4 -43.09 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -55.32 -51.16 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.8 pt-20 -62.71 -50.53 70.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.531 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.71 -49.32 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -56.13 -51.16 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 116' ' ' GLY . 89.6 mt -51.9 -39.54 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -53.71 -45.48 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.84 -55.98 4.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 4.0 mtt -58.64 -57.84 11.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -47.32 -51.67 14.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.535 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -63.93 -63.09 1.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.61 -29.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -66.33 -43.29 86.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 119' ' ' ALA . 15.0 ptt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.813 0.34 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 9.0 ttt-85 -130.7 90.83 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -50.3 141.3 16.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.619 0.723 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -41.8 3.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -59.5 -40.13 86.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.66 127.2 13.57 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.572 0.701 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 133.65 26.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.39 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.663 ' HA ' HG22 ' A' ' 47' ' ' VAL . 95.3 t -66.14 114.04 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.556 ' CG2' HD23 ' A' ' 46' ' ' LEU . 46.5 m -65.7 -57.96 6.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.563 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 42.5 tttp -160.31 133.6 6.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.73 147.27 52.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.93 152.6 10.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -72.0 107.02 4.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.84 0.352 . . . . 0.0 110.966 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.477 HD11 ' CE2' ' A' ' 111' ' ' TRP . 29.4 mt -116.2 178.92 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -122.58 131.2 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 31' ' ' GLN . 21.9 tttm -108.85 98.48 7.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' LYS . 5.0 tt0 -35.0 141.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.342 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -94.62 148.98 21.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -116.41 119.84 36.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -82.25 111.25 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -133.57 159.89 39.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -78.28 118.43 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.6 m-85 -102.79 141.06 36.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -143.0 129.0 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.556 HD23 ' CG2' ' A' ' 23' ' ' THR . 25.6 tp -103.59 113.23 26.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.663 HG22 ' HA ' ' A' ' 22' ' ' VAL . 4.1 t -144.66 136.02 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 59.86 54.74 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 44.22 27.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.476 ' O ' HD12 ' A' ' 46' ' ' LEU . 94.9 m -134.53 152.8 52.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.806 HD12 HD11 ' A' ' 68' ' ' LEU . 3.9 tt -103.6 132.58 49.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 32.1 m-85 -131.43 119.42 21.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 52.1 p90 -105.7 116.44 31.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.521 ' CE2' HG12 ' A' ' 62' ' ' ILE . 70.9 m-85 -102.72 132.3 48.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -37.02 -40.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.405 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 66.4 m-20 -144.22 -177.43 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 11.37 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -81.25 -19.67 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 48.89 47.34 21.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.15 -55.07 7.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.6 m -152.41 138.26 18.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.521 HG12 ' CE2' ' A' ' 54' ' ' TYR . 98.6 mt -70.28 117.54 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 7.2 mt -74.31 -37.75 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.0 143.89 8.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 m -116.4 137.64 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.6 mt -119.45 114.59 34.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 96.47 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.806 HD11 HD12 ' A' ' 51' ' ' LEU . 61.2 mt -76.11 -19.02 58.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.776 HD23 ' N ' ' A' ' 70' ' ' SER . 0.4 OUTLIER -59.63 -9.42 2.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.776 ' N ' HD23 ' A' ' 69' ' ' LEU . 4.5 p -129.57 38.71 3.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -140.26 161.82 36.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -121.33 87.9 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 115' ' ' MET . 4.3 t -65.52 143.31 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.73 132.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.95 156.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 87' ' ' THR . 0.2 OUTLIER -70.53 165.37 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -107.78 160.43 26.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.605 0.717 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -12.87 33.72 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.2 p -96.82 -10.49 26.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 4.5 t0 -65.33 164.72 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -96.19 35.23 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.542 HD11 ' CE2' ' A' ' 99' ' ' PHE . 8.2 mm -99.64 129.46 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.2 p -95.06 33.84 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -126.21 179.2 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.53 -73.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 2.3 m-70 -78.89 82.41 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 76' ' ' VAL . 54.6 m -131.47 155.78 46.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.457 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 2.2 p90 -145.76 131.01 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.57 132.24 56.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.67 114.84 29.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.857 ' HB3' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -124.61 149.68 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.503 ' ND1' HG23 ' A' ' 95' ' ' VAL . 18.7 t-80 -128.39 86.69 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -31.52 92.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 129.26 -0.58 6.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.463 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 96' ' ' ARG . 25.1 t -131.58 -77.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.531 ' CG ' ' N ' ' A' ' 97' ' ' THR . 12.7 ttm-85 -176.82 165.23 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.857 HG23 ' HB3' ' A' ' 91' ' ' GLU . 16.3 m -112.24 140.34 47.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 89' ' ' LYS . 30.4 m-85 -122.93 168.95 11.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 47.6 m-85 -141.45 149.34 40.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.45 ' HB2' ' CE2' ' A' ' 88' ' ' PHE . 41.7 m-85 -156.11 123.55 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 t -98.93 168.82 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.93 32.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -59.44 -44.77 92.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -118.89 153.12 52.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.3 Cg_endo -69.82 -21.86 32.61 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.62 2.213 . . . . 0.0 112.345 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.78 -30.4 64.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.77 -44.64 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -50.29 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.6 pt-20 -52.21 -48.7 64.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.5 -43.72 72.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.3 m95 -60.38 -43.1 96.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 116' ' ' GLY . 83.4 mt -62.53 -34.96 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.89 -41.03 90.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.99 -41.27 18.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.505 ' HB3' HG21 ' A' ' 73' ' ' VAL . 9.9 mtt -73.37 -62.51 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -43.4 -40.12 4.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -75.57 -63.15 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.14 -18.83 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' A' ' 68' ' ' LEU . . . -79.56 -34.49 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.86 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.767 0.318 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.647 ' CB ' HD11 ' A' ' 62' ' ' ILE . 13.3 tpt85 -102.99 118.54 37.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -99.27 137.1 20.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -35.93 11.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -63.18 -37.41 87.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 126.77 92.68 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 142.96 49.45 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.736 2.291 . . . . 0.0 112.307 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.675 ' HA ' HG22 ' A' ' 47' ' ' VAL . 9.4 p -74.18 116.56 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.505 ' CG2' HD23 ' A' ' 46' ' ' LEU . 28.0 m -67.42 -51.71 48.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.543 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 33.8 tttp -162.06 138.7 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -137.95 150.23 46.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.49 148.26 6.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 76.7 m95 -71.65 112.19 7.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.766 0.317 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 mt -116.78 178.29 4.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 45.0 m-85 -117.86 122.05 42.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -104.15 117.5 34.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.426 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 10.1 tt0 -63.53 140.04 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.924 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.322 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.426 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 78.2 m95 -86.07 125.52 33.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -101.46 110.18 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.485 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 32.3 tttp -74.08 125.2 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -145.28 165.83 27.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.527 ' CE3' ' CD1' ' A' ' 27' ' ' TRP . 58.3 t-105 -82.18 116.48 21.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.538 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.3 m-85 -101.23 139.01 37.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -140.02 129.4 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.505 HD23 ' CG2' ' A' ' 23' ' ' THR . 16.5 tp -104.43 114.64 29.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.675 HG22 ' HA ' ' A' ' 22' ' ' VAL . 4.4 t -143.45 132.33 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t70 60.88 53.7 3.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 45.11 37.56 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.4 m -142.78 149.9 39.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.655 HD12 HD11 ' A' ' 68' ' ' LEU . 2.2 tt -98.54 133.0 43.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -131.21 119.38 21.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.534 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 35.9 p90 -109.74 115.99 30.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.591 ' CE1' HG12 ' A' ' 62' ' ' ILE . 86.1 m-85 -104.09 168.87 8.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -65.33 -35.47 81.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -157.03 -177.92 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -64.03 -8.59 12.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -63.14 -44.81 94.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.22 46.03 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.08 -46.71 64.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 t -151.4 141.88 22.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.647 HD11 ' CB ' ' A' ' 16' ' ' ARG . 86.8 mt -70.97 118.06 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 46.5 mt -75.76 -32.66 60.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.534 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -174.48 130.9 1.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.2 m -109.32 136.11 49.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 31.9 mt -128.32 115.85 19.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 121.49 8.18 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.655 HD11 HD12 ' A' ' 51' ' ' LEU . 58.4 mt -93.73 -26.71 16.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 69' ' ' LEU . 7.7 tp -47.81 -18.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.428 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 3.9 p -121.02 40.99 3.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 19.0 m-85 -145.24 176.81 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.55 ' NH2' ' HB3' ' A' ' 93' ' ' ALA . 53.2 mtm180 -133.64 109.31 9.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.617 HG21 ' HB3' ' A' ' 115' ' ' MET . 26.0 t -91.21 147.83 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.63 158.64 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.82 147.1 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 87' ' ' THR . 0.2 OUTLIER -58.79 177.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -120.05 160.51 42.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -14.67 36.26 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.3 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.7 p -99.09 8.72 44.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.41 174.09 10.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -99.55 22.14 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.2 mm -97.63 133.67 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -97.51 -42.09 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.3 mtt-85 -58.88 129.68 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -79.37 164.43 24.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.403 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.9 m-70 59.06 53.17 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.675 ' O ' HG22 ' A' ' 76' ' ' VAL . 3.5 m -117.62 156.89 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.504 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 1.1 p90 -148.55 145.27 27.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -122.64 155.2 36.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.484 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -131.3 119.24 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.799 ' HB3' HG23 ' A' ' 97' ' ' THR . 3.1 pt-20 -138.7 138.05 37.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.559 ' HB3' HG22 ' A' ' 95' ' ' VAL . 79.8 t60 -87.92 0.22 56.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.55 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . . . 62.24 55.0 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.05 -21.67 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.632 HG23 ' N ' ' A' ' 96' ' ' ARG . 18.2 m -112.8 -56.42 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.632 ' N ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -177.55 -178.51 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 91' ' ' GLU . 40.9 m -134.46 102.94 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -78.87 156.35 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.5 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 16.8 m-85 -127.88 150.19 49.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 31.2 m-85 -152.8 120.98 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.6 t -103.65 149.65 24.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -121.94 143.35 49.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.51 -36.46 82.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.5 m -125.52 151.99 71.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.403 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.2 Cg_endo -69.77 -18.52 36.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -77.8 -16.55 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -93.56 -41.27 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 87' ' ' THR . 18.8 tt0 -56.74 -57.49 12.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.3 pt-20 -57.72 -49.24 77.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -53.63 -48.89 68.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.543 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 35.2 m95 -57.05 -49.62 75.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.6 mt -51.89 -42.83 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -50.08 -43.66 51.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.27 -54.62 5.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.617 ' HB3' HG21 ' A' ' 73' ' ' VAL . 10.5 mtt -58.5 -59.87 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -45.81 -56.0 6.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.24 -45.06 96.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.87 -13.66 61.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -106.47 -2.54 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.5 mttm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.795 0.331 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.498 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 7.1 ttt-85 -97.02 120.5 37.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -77.97 143.28 65.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -37.15 9.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -63.12 -39.76 95.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.73 129.63 71.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 131.54 21.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.27 . . . . 0.0 112.306 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.796 ' HA ' HG22 ' A' ' 47' ' ' VAL . 5.7 p -66.19 117.27 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -66.11 -63.64 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.529 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 33.1 tttp -150.58 133.54 16.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.94 146.99 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.65 157.48 17.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 94.7 m95 -76.36 112.92 13.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.787 0.327 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 101' ' ' SER . 16.1 mt -120.02 170.59 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 3.4 m-85 -117.93 114.33 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -91.74 124.52 35.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -58.43 154.57 13.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.83 0.347 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -132.09 135.83 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -112.88 124.34 52.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 18.9 tttm -86.97 108.15 18.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -129.43 158.92 37.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.582 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 49.5 t-105 -73.72 118.45 16.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.583 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.7 m-85 -100.97 141.89 33.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.471 HG21 ' OE1' ' A' ' 59' ' ' GLU . 97.7 t -143.01 128.33 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 50' ' ' CYS . 29.3 tp -103.39 113.61 27.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.796 HG22 ' HA ' ' A' ' 22' ' ' VAL . 17.7 t -141.9 136.12 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 56.91 54.1 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 46.02 28.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.63 ' O ' HD12 ' A' ' 46' ' ' LEU . 70.8 m -133.17 153.09 51.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.758 HD12 HD11 ' A' ' 68' ' ' LEU . 2.8 tt -103.13 131.29 50.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 38.8 m-85 -133.35 119.67 20.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 5.7 p90 -108.32 122.79 47.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.46 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 73.7 m-85 -105.56 149.78 25.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HB3' HD11 ' A' ' 63' ' ' LEU . 44.0 pttt -44.9 -32.36 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -152.99 -175.05 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.582 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 4.4 tp10 -69.24 -26.38 64.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -49.68 -27.18 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.471 ' OE1' HG21 ' A' ' 45' ' ' VAL . 34.4 mt-10 51.5 53.72 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -75.02 -64.16 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.2 t -134.18 143.03 47.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.0 mt -71.78 116.36 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.678 HD11 ' HB3' ' A' ' 55' ' ' LYS . 73.9 mt -74.24 -45.21 49.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.81 115.12 0.64 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 p -90.5 137.2 32.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.6 mt -129.73 115.29 18.03 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 119.52 6.45 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.758 HD11 HD12 ' A' ' 51' ' ' LEU . 22.8 mt -93.96 -25.51 17.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.43 -15.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 13.0 m -118.83 33.77 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -137.36 174.62 10.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -133.58 89.43 2.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 115' ' ' MET . 49.0 t -66.44 146.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -169.53 134.74 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.61 138.88 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.921 HG22 ' O ' ' A' ' 87' ' ' THR . 3.3 m -53.7 168.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -114.49 158.72 39.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -1.87 9.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.314 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -106.49 -12.56 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.11 156.93 36.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -85.14 46.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.2 mm -114.48 88.75 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.2 m -45.71 -33.22 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -63.53 162.96 11.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -108.18 -58.43 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 5.4 m-70 -76.9 64.39 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.921 ' O ' HG22 ' A' ' 76' ' ' VAL . 52.8 m -130.79 143.46 50.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -127.75 131.63 49.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 2.4 pttm -101.34 133.36 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -111.27 125.4 53.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' ARG . 2.9 pt-20 -124.8 143.44 50.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.692 ' ND1' HG23 ' A' ' 95' ' ' VAL . 3.7 t-80 -106.33 -10.84 16.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 60.96 35.28 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -161.46 -40.84 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.692 HG23 ' ND1' ' A' ' 92' ' ' HIS . 17.9 t -104.97 -71.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 111.1 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.44 ' NE ' ' OH ' ' A' ' 98' ' ' TYR . 6.4 ptt180 -167.36 172.98 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.7 m -114.82 117.63 31.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.44 ' OH ' ' NE ' ' A' ' 96' ' ' ARG . 21.8 m-85 -88.78 171.53 9.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 19.6 m-85 -139.24 141.99 37.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 12.7 m-85 -144.43 132.38 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.446 ' O ' HD23 ' A' ' 28' ' ' LEU . 13.6 t -116.57 160.92 19.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.88 138.4 48.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.71 -44.29 96.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.27 146.42 33.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.845 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.537 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.71 -17.94 37.51 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -77.8 -30.96 51.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -78.67 -40.51 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -52.05 -62.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.3 pt-20 -54.48 -49.04 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.24 -42.08 72.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.529 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.7 m95 -61.1 -52.74 63.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.54 -49.85 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -46.05 -40.44 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.27 -57.29 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.584 ' HB3' HG21 ' A' ' 73' ' ' VAL . 13.4 mtt -57.88 -65.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' MET . . . -37.66 -49.47 1.86 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -68.04 -60.15 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.47 -18.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.54 -43.35 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 120' ' ' ARG . 3.1 ptp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.763 0.316 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.64 ' CZ ' HG21 ' A' ' 47' ' ' VAL . 9.1 tpt85 -103.68 135.03 46.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -113.95 139.24 23.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.641 0.734 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.61 30.55 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -69.34 -42.2 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.83 123.52 79.99 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 111.091 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 134.12 27.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.697 ' HA ' HG22 ' A' ' 47' ' ' VAL . 5.0 p -61.36 113.62 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -63.82 -55.34 23.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 32.7 tttp -159.2 134.3 8.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -134.96 131.26 36.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.63 154.32 25.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -72.37 108.46 5.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 0.0 110.956 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' A' ' 111' ' ' TRP . 36.7 mt -120.23 178.05 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 45.8 m-85 -116.8 123.82 48.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -99.71 99.89 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 7.8 tt0 -46.43 148.71 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 69.1 m95 -61.92 122.56 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -104.86 99.27 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 19.3 tttm -59.72 120.5 9.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -138.97 158.88 43.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.455 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 38.9 t-105 -74.08 117.67 16.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.3 m-85 -100.35 138.26 37.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.3 t -140.1 129.14 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 50' ' ' CYS . 52.6 tp -103.36 113.93 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 22' ' ' VAL . 15.1 t -142.85 134.67 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 59.09 52.33 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 47.17 28.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.651 ' O ' HD12 ' A' ' 46' ' ' LEU . 17.2 t -133.07 151.32 52.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.677 HD12 HD11 ' A' ' 68' ' ' LEU . 3.9 tt -101.43 129.57 47.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 46.6 m-85 -131.17 119.35 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.6 p90 -108.6 120.65 43.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -104.42 155.88 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' CA ' HD11 ' A' ' 63' ' ' LEU . 10.9 pttp -50.19 -39.36 43.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -155.03 -178.36 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.7 -18.54 54.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -54.93 -35.69 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 58.51 46.41 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -65.24 -63.25 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -143.5 147.24 34.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.54 121.93 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.59 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 45.9 mt -79.39 -40.15 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -164.73 114.54 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.4 p -88.71 141.81 28.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mt -138.76 112.36 8.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.73 4.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.677 HD11 HD12 ' A' ' 51' ' ' LEU . 39.9 mt -84.41 -34.51 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -41.91 -23.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.535 ' HG ' ' CE1' ' A' ' 92' ' ' HIS . 32.4 t -115.78 43.04 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.683 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 16.1 m-85 -143.13 175.08 10.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -133.88 92.85 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 115' ' ' MET . 25.7 t -72.42 142.14 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.06 128.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.4 160.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.425 HG21 ' HB ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -74.48 172.96 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -112.24 160.24 30.88 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.703 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -9.11 25.31 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.6 p -91.13 -20.34 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -67.91 156.73 36.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -94.07 46.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.418 HD12 HG11 ' A' ' 76' ' ' VAL . 1.4 mt -108.92 102.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.2 p -59.8 -47.98 83.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -56.05 137.25 51.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -94.11 175.09 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 52.11 49.98 19.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 88' ' ' PHE . 18.6 m -110.87 159.17 17.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.492 ' N ' HG22 ' A' ' 87' ' ' THR . 1.3 p90 -153.56 132.39 12.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.496 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -118.26 146.57 44.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.91 132.35 53.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -124.6 138.02 54.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.967 ' HD2' HG23 ' A' ' 95' ' ' VAL . 35.1 t60 -106.68 -6.59 17.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 54.16 51.93 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.48 -35.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.967 HG23 ' HD2' ' A' ' 92' ' ' HIS . 11.2 t -109.92 -70.67 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.462 ' NE ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -164.44 -177.31 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.9 m -129.24 104.6 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -78.87 153.47 30.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 11.2 m-85 -122.95 155.27 37.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 31.7 m-85 -155.91 119.38 4.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 t -99.38 157.39 16.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.53 142.99 49.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.46 -46.11 84.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.4 p -117.45 154.55 50.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.747 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -20.53 34.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -73.26 -24.97 60.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -84.09 -42.92 15.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -59.34 -53.04 62.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.5 pt-20 -58.86 -46.03 88.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.452 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -61.83 -47.45 85.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.508 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 31.7 m95 -56.86 -44.25 82.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 116' ' ' GLY . 74.2 mt -58.68 -38.64 72.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -53.54 -46.25 70.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.53 -53.56 6.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.619 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.4 mtt -60.96 -60.85 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.97 -49.09 9.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.63 -45.96 81.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.96 -29.61 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.683 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -78.76 -45.15 21.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.91 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.773 0.32 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.565 ' CB ' HD11 ' A' ' 62' ' ' ILE . 9.1 tpt85 -93.76 132.42 38.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -102.82 121.92 47.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.25 35.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.314 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.571 ' ND2' ' C ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -90.36 -33.99 15.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.481 ' N ' ' ND2' ' A' ' 19' ' ' ASN . . . -68.79 131.08 91.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 111.074 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 138.01 36.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.606 ' HA ' HG22 ' A' ' 47' ' ' VAL . 74.3 t -62.23 110.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.474 ' CG2' HD23 ' A' ' 46' ' ' LEU . 31.3 m -59.39 -43.15 92.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.572 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 37.2 tttp -173.76 132.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.48 143.24 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.33 146.83 7.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.494 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 74.7 m95 -72.92 104.7 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -110.6 173.5 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -115.56 116.76 28.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -97.75 108.72 21.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -48.44 145.96 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.809 0.338 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -71.69 133.85 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -107.83 121.19 44.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -75.12 126.04 30.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -145.42 154.88 42.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 60.7 t-105 -75.31 122.23 23.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -106.57 134.76 49.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.7 t -139.05 127.89 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 50' ' ' CYS . 18.9 tp -104.1 113.29 26.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 22' ' ' VAL . 9.6 t -143.95 142.45 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 58.36 49.43 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.703 ' HE ' HD22 ' A' ' 69' ' ' LEU . 4.8 tmm_? 46.32 48.8 13.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.715 ' O ' HD12 ' A' ' 46' ' ' LEU . 49.2 t -159.33 156.84 29.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.796 HD12 HD11 ' A' ' 68' ' ' LEU . 2.5 tt -100.3 133.33 44.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.471 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 28.9 m-85 -131.36 119.33 21.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 5.7 p90 -106.61 122.42 46.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.424 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 74.7 m-85 -112.15 154.0 26.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.538 ' N ' HD11 ' A' ' 63' ' ' LEU . 24.4 pttm -54.07 -37.47 64.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -150.32 177.96 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.72 -22.39 57.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -53.48 -37.45 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 21.9 mt-10 53.28 34.18 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -51.73 -59.59 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.9 m -135.08 141.36 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.565 HD11 ' CB ' ' A' ' 16' ' ' ARG . 65.4 mt -68.47 119.59 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.559 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 45.9 mt -72.39 -41.71 66.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -175.46 116.72 0.58 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -82.78 140.31 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.839 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 80.7 mt -129.94 116.19 17.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.567 0.698 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 134.12 27.16 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.796 HD11 HD12 ' A' ' 51' ' ' LEU . 41.3 mt -110.06 -21.27 12.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.76 HD23 ' H ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -51.9 -16.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -100.86 -32.08 10.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.881 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 7.1 m-85 -79.39 169.54 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' VAL . 69.9 ttt180 -130.86 64.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.788 HG21 ' HB3' ' A' ' 115' ' ' MET . 48.6 t -33.69 144.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.92 129.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.45 152.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 87' ' ' THR . 2.5 m -66.22 -176.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.452 ' CD ' ' HD2' ' A' ' 78' ' ' PRO . 5.7 mm-40 -136.18 162.0 59.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HD2' ' CD ' ' A' ' 77' ' ' GLN . 53.7 Cg_endo -69.74 -4.33 13.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.244 . . . . 0.0 112.37 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 t -95.91 -17.73 20.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.63 156.65 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.52 47.29 1.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.8 mm -106.04 126.65 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.7 t -94.79 -43.25 8.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -64.92 135.42 55.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -86.15 161.2 18.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 67.52 50.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.739 ' O ' HG22 ' A' ' 76' ' ' VAL . 37.9 m -122.36 147.93 45.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.499 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -131.76 131.38 42.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 8.6 pttt -105.19 135.41 46.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -106.73 131.2 54.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -137.19 134.61 36.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.527 ' ND1' HG23 ' A' ' 95' ' ' VAL . 1.9 t-80 -98.92 -16.57 18.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 70.79 37.24 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.69 -31.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.527 HG23 ' ND1' ' A' ' 92' ' ' HIS . 60.0 t -107.26 -63.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 111.105 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.546 ' HD3' ' CE2' ' A' ' 98' ' ' TYR . 0.2 OUTLIER -175.0 178.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.3 m -122.22 106.42 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 96' ' ' ARG . 30.5 m-85 -81.47 169.88 16.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 20.8 m-85 -140.88 138.27 33.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -139.15 118.5 12.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -96.91 150.08 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -125.5 123.0 38.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.79 -43.36 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.2 p -121.57 153.82 59.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.701 0.763 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -22.86 31.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -74.15 -19.16 60.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -81.41 -54.1 5.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 111' ' ' TRP . 9.8 tt0 -56.49 -63.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 110' ' ' ALA . 7.5 pt-20 -38.97 -44.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 109' ' ' GLU . . . -72.38 -34.14 67.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.572 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 32.0 m95 -68.6 -42.62 77.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 116' ' ' GLY . 79.9 mt -57.77 -39.87 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.22 -46.81 69.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.35 -56.7 4.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.788 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.3 mtt -59.5 -59.33 5.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -47.93 -51.25 19.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -63.36 -55.27 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.98 -21.95 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.881 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -78.8 -45.17 21.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.916 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.783 0.325 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.504 ' HE ' HG21 ' A' ' 47' ' ' VAL . 22.2 ttt-85 -74.69 139.95 43.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -86.65 124.13 69.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -13.37 34.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -88.29 -36.01 16.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.4 128.97 93.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 130.45 19.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.699 ' HA ' HG22 ' A' ' 47' ' ' VAL . 95.5 t -52.82 109.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 m -58.53 -59.34 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 10.5 tttm -154.33 138.18 16.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.521 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.17 130.93 45.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.07 142.55 7.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.65 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 68.2 m95 -70.78 106.05 3.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.543 HD11 ' CE2' ' A' ' 111' ' ' TRP . 45.6 mt -110.65 174.04 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 5.8 m-85 -117.06 105.85 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -83.22 116.22 22.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 0.9 OUTLIER -53.47 159.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.771 0.32 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.419 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 57.1 m95 -61.0 143.54 55.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -110.49 112.27 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 36.0 tttt -77.53 119.53 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -141.12 167.61 21.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.65 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 33.5 t-105 -80.71 116.15 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.484 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.21 136.56 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.0 t -138.76 126.88 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.4 tp -103.13 112.96 26.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.699 HG22 ' HA ' ' A' ' 22' ' ' VAL . 12.5 t -143.0 135.73 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t70 58.49 54.6 5.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 44.65 29.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.2 t -134.96 147.58 49.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.53 ' HB2' HD11 ' A' ' 68' ' ' LEU . 3.3 tt -98.91 131.05 45.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 50' ' ' CYS . 35.8 m-85 -131.55 119.25 21.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.573 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 37.5 p90 -109.6 118.69 37.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.448 ' CE2' HG12 ' A' ' 62' ' ' ILE . 66.4 m-85 -103.4 140.92 36.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.621 ' HB3' HD11 ' A' ' 63' ' ' LEU . 18.4 pttm -40.42 -41.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -142.41 -175.1 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' O ' ' CD ' ' A' ' 57' ' ' GLU . 1.9 pp20? -80.88 41.87 0.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -99.86 -32.91 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 54.8 48.31 20.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -106.23 -64.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -111.88 129.21 56.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.448 HG12 ' CE2' ' A' ' 54' ' ' TYR . 81.0 mt -82.93 118.67 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 55' ' ' LYS . 58.8 mt -76.08 -45.18 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.58 134.04 3.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 p -118.01 133.46 55.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.469 HG12 ' CZ ' ' A' ' 98' ' ' TYR . 3.9 mp -119.67 120.73 30.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 80.24 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.376 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 51' ' ' LEU . 87.7 mt -51.37 -33.25 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tp -49.32 -18.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 73.2 m -123.21 46.99 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 23.0 m-85 -147.16 166.76 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -122.98 87.88 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 115' ' ' MET . 21.3 t -67.24 144.53 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.99 151.12 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.81 153.52 36.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.618 HG11 HG13 ' A' ' 82' ' ' ILE . 4.0 m -68.97 170.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -120.28 159.51 47.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.636 0.732 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.3 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.6 m -104.8 -19.84 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -73.91 163.34 28.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -83.92 38.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.641 HD11 ' CE2' ' A' ' 99' ' ' PHE . 43.4 mm -99.23 108.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.186 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.8 m -81.81 40.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' CZ ' ' OG ' ' A' ' 101' ' ' SER . 12.4 mtp180 -132.8 175.22 9.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -106.68 -66.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 2.9 m-70 -89.97 83.85 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.503 ' HB ' HG21 ' A' ' 76' ' ' VAL . 77.2 m -133.18 156.52 47.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.477 ' N ' HG22 ' A' ' 87' ' ' THR . 12.1 p90 -150.8 131.17 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.552 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -120.33 145.64 46.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.727 ' O ' HG23 ' A' ' 97' ' ' THR . . . -103.11 150.18 23.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -140.49 134.69 31.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.546 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 6.6 t-80 -106.95 -2.19 21.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 49.81 40.23 19.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.03 -41.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.463 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.413 HG23 ' ND1' ' A' ' 92' ' ' HIS . 95.3 t -103.68 -67.42 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 111.137 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.547 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 6.5 ptm180 -170.41 -177.22 2.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 90' ' ' ALA . 21.1 m -125.0 110.22 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 43.7 m-85 -84.05 150.18 25.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.641 ' CE2' HD11 ' A' ' 82' ' ' ILE . 26.1 m-85 -120.62 143.86 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 98' ' ' TYR . 11.9 m-85 -145.39 118.57 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.436 ' OG ' ' CZ ' ' A' ' 84' ' ' ARG . 12.3 t -104.51 140.5 37.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -113.05 132.69 55.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -46.18 -54.11 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 m -112.91 160.79 29.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.694 0.759 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.422 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.74 -19.13 36.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.93 -37.01 72.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -71.2 -52.02 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -46.03 -60.29 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.535 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 8.3 pt-20 -55.4 -50.63 69.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -51.29 -42.4 61.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.543 ' CE2' HD11 ' A' ' 28' ' ' LEU . 47.8 m95 -64.9 -62.1 1.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 88.5 mt -39.84 -34.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -60.67 -46.76 89.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.68 -46.96 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.464 ' HB3' HG21 ' A' ' 73' ' ' VAL . 4.8 mtt -64.4 -63.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -40.95 -53.77 3.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -60.1 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.38 -17.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.57 -39.53 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.105 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.745 0.307 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HB2' HD11 ' A' ' 62' ' ' ILE . 12.1 tpt85 -106.25 133.92 50.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -123.95 138.97 31.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.704 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -27.86 25.95 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -66.71 -36.75 83.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.7 122.51 82.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 130.97 20.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.738 ' HA ' HG22 ' A' ' 47' ' ' VAL . 67.1 t -58.92 112.22 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.509 HG21 HD23 ' A' ' 46' ' ' LEU . 25.6 m -62.23 -57.86 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.53 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 30.4 tttp -155.86 136.58 13.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.92 131.28 44.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -166.48 158.24 31.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.443 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 68.3 m95 -83.76 102.71 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.781 HD11 ' CE2' ' A' ' 111' ' ' TRP . 8.7 mt -112.79 171.35 7.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 12.9 m-85 -109.91 122.57 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -96.55 106.55 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -45.97 145.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -110.32 124.3 51.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -111.65 133.98 53.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.546 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -91.94 125.16 36.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -137.17 158.57 44.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 48.3 t-105 -73.04 113.99 10.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.414 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.4 m-85 -100.46 143.58 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.3 t -148.12 128.23 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 50' ' ' CYS . 22.0 tp -103.28 112.98 26.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' A' ' 22' ' ' VAL . 15.8 t -142.46 133.79 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t0 63.93 54.99 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 44.59 29.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.696 ' O ' HD12 ' A' ' 46' ' ' LEU . 79.4 m -138.65 163.51 31.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 52' ' ' PHE . 3.5 tt -109.55 139.65 44.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.54 ' N ' HD23 ' A' ' 51' ' ' LEU . 48.5 m-85 -137.17 119.35 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.6 p90 -106.56 120.34 41.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.429 ' CE2' HG12 ' A' ' 62' ' ' ILE . 79.2 m-85 -108.67 157.38 18.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' HD11 ' A' ' 63' ' ' LEU . 13.8 pttp -51.62 -42.22 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -150.95 -177.31 5.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.9 -24.01 65.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -54.27 -40.77 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 60.55 47.68 8.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.48 -54.47 45.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -146.75 141.36 26.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.571 HD11 ' HB2' ' A' ' 16' ' ' ARG . 78.3 mt -63.96 131.29 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 39.7 mt -87.78 -38.29 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.26 130.29 1.66 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.439 ' C ' HG13 ' A' ' 66' ' ' ILE . 82.6 p -99.2 147.62 24.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.617 HG21 ' CE2' ' A' ' 98' ' ' TYR . 11.1 mt -138.99 120.82 10.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.598 0.713 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 136.8 33.81 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.318 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.414 HD11 HD12 ' A' ' 51' ' ' LEU . 59.7 mt -119.52 -25.72 5.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 tp -46.8 -19.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 68' ' ' LEU . 74.6 m -107.17 -21.83 12.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.976 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 25.5 m-85 -86.94 164.6 16.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -126.45 90.0 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.848 HG22 ' HB2' ' A' ' 90' ' ' ALA . 98.0 t -63.3 146.52 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.47 136.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.84 162.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 87' ' ' THR . 4.1 m -74.58 -177.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -130.85 159.75 69.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 1.36 4.46 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.6 p -101.27 -26.41 13.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -67.97 155.85 38.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -87.55 50.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.0 mm -105.16 131.83 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -80.08 -53.22 6.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -50.05 162.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -96.63 -69.24 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 6.4 m-70 -74.33 82.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.505 ' O ' HG22 ' A' ' 76' ' ' VAL . 88.4 m -131.99 156.16 46.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 0.9 OUTLIER -146.73 131.53 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -114.79 148.33 38.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.848 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -121.49 140.08 52.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.441 ' C ' ' CD2' ' A' ' 71' ' ' PHE . 3.2 pt-20 -139.67 153.37 47.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 1.7 t-160 -103.98 -75.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.611 ' H ' HG22 ' A' ' 95' ' ' VAL . . . -175.94 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 44.14 46.28 8.06 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.657 HG23 ' H ' ' A' ' 96' ' ' ARG . 5.8 m -132.64 -57.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.657 ' H ' HG23 ' A' ' 95' ' ' VAL . 2.5 ptm85 -172.06 166.56 6.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.9 m -134.54 106.84 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.617 ' CE2' HG21 ' A' ' 66' ' ' ILE . 91.8 m-85 -78.58 154.41 30.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 49.8 m-85 -135.3 136.35 41.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 16.4 m-85 -140.43 134.33 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 p -112.71 156.9 22.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . -131.36 123.61 28.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.08 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.9 mm-40 -36.2 -53.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 m -111.94 161.58 25.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.726 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.421 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.79 -18.7 36.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -72.54 -41.14 66.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.89 -45.3 78.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -53.87 -58.93 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.8 pt-20 -56.89 -48.63 77.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.03 -42.69 76.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.781 ' CE2' HD11 ' A' ' 28' ' ' LEU . 33.0 m95 -61.31 -54.39 44.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 116' ' ' GLY . 92.3 mt -48.54 -41.39 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -50.57 -49.4 56.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.68 -55.72 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.409 ' HB3' HG21 ' A' ' 73' ' ' VAL . 4.6 mtt -56.45 -61.03 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -49.52 -53.0 22.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -56.18 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.75 -16.8 7.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.976 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -93.41 -39.98 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.761 0.315 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.543 ' HB3' HD11 ' A' ' 62' ' ' ILE . 43.9 ttp85 -103.48 121.45 42.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -51.36 143.26 18.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.86 37.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -115.96 38.29 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.78 125.85 31.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.703 . . . . 0.0 111.144 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 134.75 28.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.304 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.852 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.6 p -71.33 113.51 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.463 ' CG2' HD23 ' A' ' 46' ' ' LEU . 19.5 m -63.74 -52.92 58.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.57 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 35.3 tttp -154.01 143.97 21.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.494 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -132.59 140.62 48.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.55 142.48 4.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.521 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.6 m95 -73.33 111.05 8.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.8 mt -114.45 172.25 7.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 23.5 m-85 -120.37 115.39 23.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -95.01 110.25 22.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -48.54 147.13 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -104.95 126.41 51.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -104.9 118.27 36.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 27.1 tttt -81.33 124.39 29.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -144.95 157.34 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 37.7 t-105 -71.61 115.14 10.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.487 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -101.07 138.66 37.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.424 HG13 HG23 ' A' ' 22' ' ' VAL . 56.3 t -141.05 129.57 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD23 ' CG2' ' A' ' 23' ' ' THR . 18.5 tp -103.41 113.37 26.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.852 HG22 ' HA ' ' A' ' 22' ' ' VAL . 62.3 t -140.27 138.91 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 t0 55.54 54.28 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 45.92 28.5 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.442 ' O ' HD12 ' A' ' 46' ' ' LEU . 84.0 m -134.71 160.18 38.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.665 HD12 HD11 ' A' ' 68' ' ' LEU . 2.2 tt -106.14 135.22 47.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -136.34 119.52 16.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.7 p90 -107.01 128.11 54.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.472 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 89.2 m-85 -109.45 140.2 43.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.489 ' CA ' HD11 ' A' ' 63' ' ' LEU . 29.8 pttt -38.43 -39.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -151.7 -176.45 5.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -80.75 42.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -103.74 -24.81 13.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 52.35 52.29 14.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -97.14 -57.52 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.1 t -140.5 139.69 35.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.543 HD11 ' HB3' ' A' ' 16' ' ' ARG . 89.8 mt -78.19 120.77 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.178 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.489 HD11 ' CA ' ' A' ' 55' ' ' LYS . 31.0 mt -71.39 -43.45 66.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.79 139.1 5.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.435 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 m -108.96 147.12 32.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -139.97 121.25 9.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.672 0.749 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 119.63 6.55 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.665 HD11 HD12 ' A' ' 51' ' ' LEU . 30.7 mt -90.91 -25.64 19.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.782 HD23 ' H ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -57.97 -11.46 2.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.491 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 7.5 p -118.4 34.35 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -141.34 169.21 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -127.82 79.53 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 115' ' ' MET . 38.1 t -55.41 147.3 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -172.35 160.49 4.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.89 156.96 30.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.498 HG11 HG13 ' A' ' 82' ' ' ILE . 3.1 m -76.36 157.31 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -95.5 157.85 35.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 1.3 4.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.39 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.1 m -123.75 28.03 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.29 172.76 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -90.86 47.54 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.498 HG13 HG11 ' A' ' 76' ' ' VAL . 48.2 mm -123.85 108.26 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.6 m -60.78 -43.24 98.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -61.15 138.55 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -77.84 -66.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.416 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.4 m-70 -74.06 81.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.505 HG22 ' N ' ' A' ' 88' ' ' PHE . 54.8 m -133.61 158.53 42.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.505 ' N ' HG22 ' A' ' 87' ' ' THR . 10.7 p90 -153.41 131.12 11.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.589 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -115.69 148.72 39.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.411 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -111.23 137.22 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -129.21 149.33 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 92' ' ' HIS . 8.2 t-80 -114.95 -1.29 13.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 49.42 41.4 20.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.16 -39.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.489 HG23 ' ND1' ' A' ' 92' ' ' HIS . 88.6 t -104.99 -69.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.575 ' HD2' ' CE2' ' A' ' 98' ' ' TYR . 4.3 ptp180 -166.43 -176.92 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.2 m -130.3 107.46 9.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 96' ' ' ARG . 33.8 m-85 -83.06 157.08 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 22.8 m-85 -123.03 148.94 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 98' ' ' TYR . 27.1 m-85 -154.29 120.43 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.4 t -107.9 163.58 13.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.12 138.98 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.48 -51.73 44.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 m -112.54 159.15 35.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.416 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 54.0 Cg_endo -69.73 -26.34 27.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.88 -39.4 90.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.09 -39.35 65.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -56.11 -60.57 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.9 pt-20 -56.82 -46.69 81.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.17 -50.95 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.57 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.7 m95 -55.53 -44.81 77.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 116' ' ' GLY . 83.1 mt -58.16 -37.18 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -55.25 -48.12 74.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.85 -53.17 7.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.063 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.554 ' HB3' HG21 ' A' ' 73' ' ' VAL . 5.5 mtt -61.96 -61.64 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -42.92 -48.12 6.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.53 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.54 -22.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 120' ' ' ARG . . . -77.65 -37.67 49.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 119' ' ' ALA . 22.6 ptt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.761 0.315 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.557 ' NE ' HG21 ' A' ' 47' ' ' VAL . 8.6 tpt180 -117.62 137.75 52.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -112.6 139.01 22.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.734 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -33.9 15.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -63.18 -40.01 96.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.69 125.51 82.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 130.41 19.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.81 ' HA ' HG22 ' A' ' 47' ' ' VAL . 4.8 p -61.91 117.09 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 m -66.65 -60.54 2.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.492 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 25.7 tttp -147.91 135.27 20.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.481 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -131.89 131.25 42.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 146.69 9.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 82.9 m95 -71.54 105.3 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.8 mt -106.99 174.65 5.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 2.6 m-85 -120.93 111.79 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -92.41 128.41 38.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.407 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 5.9 tt0 -68.71 142.84 54.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.808 0.337 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.493 ' CD1' ' HD2' ' A' ' 84' ' ' ARG . 49.7 m95 -73.65 125.14 27.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -104.35 109.85 21.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.483 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 15.9 tttm -65.84 122.26 16.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -141.01 162.19 36.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.576 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 33.4 t-105 -77.08 115.31 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.515 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.64 136.77 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.1 t -139.54 127.08 25.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 50' ' ' CYS . 41.8 tp -103.3 113.3 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.81 HG22 ' HA ' ' A' ' 22' ' ' VAL . 34.8 t -141.41 133.8 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 61.4 54.76 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.9 mtm-85 45.14 27.45 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.66 ' O ' HD12 ' A' ' 46' ' ' LEU . 9.9 t -133.86 151.45 51.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 68' ' ' LEU . 3.6 tt -99.12 135.96 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.518 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 30.4 m-85 -136.77 119.38 16.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 33.2 p90 -110.96 124.32 51.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -112.93 150.21 32.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -48.77 -35.27 13.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -144.41 -175.12 4.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.576 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -81.43 41.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -99.59 -40.14 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 60.24 48.12 8.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -101.59 -64.86 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 p -110.82 123.74 50.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.422 HD11 ' CB ' ' A' ' 16' ' ' ARG . 78.7 mt -72.45 123.79 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 75.9 mt -81.68 -43.78 18.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.11 125.05 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.465 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 p -105.22 138.77 40.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.8 mt -138.48 120.23 10.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.728 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 126.86 13.85 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.318 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 51' ' ' LEU . 33.6 mt -95.96 -30.9 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.79 HD23 ' H ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -53.13 -15.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 12.9 m -117.38 30.02 7.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -134.92 176.93 8.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 91' ' ' GLU . 47.1 ttt85 -133.44 82.33 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.9 t -56.98 144.93 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.03 143.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.3 167.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.499 HG21 ' HB ' ' A' ' 87' ' ' THR . 4.3 m -88.22 158.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -98.76 158.21 32.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.703 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.86 3.16 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.722 2.281 . . . . 0.0 112.296 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.3 t -134.94 34.82 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -110.66 13.71 22.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 13.3 t-20 62.49 38.23 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.5 mm -102.3 103.51 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.3 p -83.68 40.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HD2' ' CD1' ' A' ' 39' ' ' TRP . 27.8 mtp85 -150.56 146.94 26.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -100.08 147.6 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.408 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 6.4 m-70 71.36 52.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.499 ' HB ' HG21 ' A' ' 76' ' ' VAL . 53.2 m -119.42 155.93 31.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.461 ' N ' HG22 ' A' ' 87' ' ' THR . 13.1 p90 -145.97 131.29 18.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -113.97 145.99 40.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 97' ' ' THR . . . -103.87 147.04 27.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 72' ' ' ARG . 1.1 tt0 -142.31 135.18 28.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 70' ' ' SER . 6.7 t-160 -100.03 -20.23 16.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 70.84 28.59 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.56 -33.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.462 HG23 ' ND1' ' A' ' 92' ' ' HIS . 94.9 t -107.46 -64.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.513 ' HD2' ' CZ ' ' A' ' 98' ' ' TYR . 15.3 ptp180 -172.92 -179.34 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 90' ' ' ALA . 92.6 m -125.36 109.63 13.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.513 ' CZ ' ' HD2' ' A' ' 96' ' ' ARG . 68.1 m-85 -82.38 159.39 23.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 59.2 m-85 -125.98 150.52 47.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 52.6 m-85 -156.19 116.4 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.4 t -95.47 161.56 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.76 135.47 45.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -51.85 -54.64 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.7 m -116.33 160.55 35.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.8 -28.63 24.82 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -63.6 -31.32 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.13 -43.97 18.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -52.24 -56.27 15.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.53 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 8.4 pt-20 -60.37 -50.51 73.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.53 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -52.85 -44.48 66.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.492 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 38.1 m95 -62.16 -55.77 25.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.1 mt -45.72 -40.17 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -55.59 -45.5 77.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.84 -55.06 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 4.1 mtt -61.38 -61.26 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 119' ' ' ALA . . . -43.31 -55.11 5.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -55.8 30.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.08 -15.59 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -85.49 -41.22 15.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.857 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.75 ' NE ' HG11 ' A' ' 47' ' ' VAL . 10.2 tpt180 -138.48 155.05 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 35.9 m-80 -131.68 142.47 45.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -38.22 7.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.252 . . . . 0.0 112.364 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -61.92 -41.09 97.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.95 122.95 24.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 130.6 19.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.857 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.1 p -64.96 117.05 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.7 m -65.11 -60.0 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 41.3 tttp -152.74 132.22 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.57 138.68 48.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.11 150.67 12.54 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.488 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.3 m95 -70.61 104.61 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD12 ' CD2' ' A' ' 44' ' ' PHE . 15.6 mt -104.9 178.27 4.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -122.73 103.27 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -77.33 158.23 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 6.5 tt0 -106.36 134.51 49.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 57.3 m95 -45.36 159.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -139.93 111.25 7.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -64.43 120.57 12.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -143.44 154.88 44.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 49.3 t-105 -73.33 119.84 18.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.1 m-85 -102.59 137.83 40.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -139.08 128.82 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 50' ' ' CYS . 63.3 tp -103.24 113.21 26.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' A' ' 22' ' ' VAL . 47.0 t -140.69 134.57 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.07 54.88 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 45.51 27.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.867 ' O ' HD12 ' A' ' 46' ' ' LEU . 97.3 m -131.53 159.11 39.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 44' ' ' PHE . 2.9 tt -105.76 134.05 49.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.431 ' N ' HD23 ' A' ' 51' ' ' LEU . 53.3 m-85 -135.98 119.47 16.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 28.4 p90 -108.98 125.88 52.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.582 ' CE2' HG12 ' A' ' 62' ' ' ILE . 52.8 m-85 -114.77 138.15 51.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.725 ' N ' HD11 ' A' ' 63' ' ' LEU . 16.5 pttm -38.35 -37.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.441 ' HB2' ' CG ' ' A' ' 58' ' ' LYS . 18.2 m-20 -146.24 173.47 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.503 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 38.2 mt-10 -60.92 -27.63 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -46.92 -39.77 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.499 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 27.2 mt-10 61.25 42.59 11.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -62.74 -56.1 20.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -138.6 137.85 37.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.582 HG12 ' CE2' ' A' ' 54' ' ' TYR . 89.6 mt -67.9 125.23 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.725 HD11 ' N ' ' A' ' 55' ' ' LYS . 26.6 mt -78.77 -42.04 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.77 130.63 2.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.436 ' C ' HG13 ' A' ' 66' ' ' ILE . 19.5 p -99.69 148.83 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.846 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 65' ' ' SER . 47.7 mt -144.81 116.96 5.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 53.7 Cg_endo -69.84 122.69 9.34 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.318 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -94.73 -31.43 13.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.729 HD23 ' N ' ' A' ' 70' ' ' SER . 0.7 OUTLIER -54.37 -12.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.729 ' N ' HD23 ' A' ' 69' ' ' LEU . 32.5 p -123.29 41.02 3.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 67' ' ' PRO . 14.6 m-85 -143.8 -179.3 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -134.63 88.87 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.4 142.85 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.84 151.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' VAL . . . -62.05 141.91 57.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 87' ' ' THR . 3.3 m -48.46 178.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -106.11 163.73 16.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 119.95 6.82 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t 75.0 40.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.24 18.21 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.4 m120 62.48 35.73 14.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 84' ' ' ARG . 28.0 mm -113.98 97.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' ILE . 17.4 m -38.24 -44.23 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 82' ' ' ILE . 36.3 mtp85 -65.51 175.56 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -116.98 -67.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.411 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.7 m-70 -72.49 83.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 88' ' ' PHE . 53.5 m -128.31 155.66 44.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 7.6 p90 -146.45 131.06 17.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.592 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -120.92 145.53 47.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.693 ' O ' HG23 ' A' ' 97' ' ' THR . . . -103.64 154.76 19.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -151.0 132.7 14.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.634 ' ND1' HG23 ' A' ' 95' ' ' VAL . 4.5 t-80 -101.35 -16.09 17.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 69.05 48.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.3 -27.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.634 HG23 ' ND1' ' A' ' 92' ' ' HIS . 46.3 t -109.74 -65.2 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 98' ' ' TYR . 9.8 ptm180 -175.24 -178.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 90' ' ' ALA . 32.2 m -127.44 104.29 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 48.9 m-85 -79.42 155.5 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 16.9 m-85 -123.71 147.55 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 34.6 m-85 -155.25 124.26 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.3 t -109.9 169.63 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -134.79 132.72 39.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.78 -19.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 m -145.96 159.06 47.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.79 -35.18 13.03 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -58.96 -34.58 71.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -77.54 -40.53 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.74 -52.25 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.2 pt-20 -61.27 -49.65 76.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.51 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.21 -47.46 78.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.542 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 30.2 m95 -55.82 -47.74 76.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 116' ' ' GLY . 96.7 mt -57.74 -41.28 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -52.07 -46.51 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.02 -54.66 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.494 ' SD ' HD12 ' A' ' 51' ' ' LEU . 4.9 mtt -61.87 -59.98 4.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -43.81 -51.98 6.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.78 -53.67 43.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.19 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.77 -49.82 42.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.596 ' HB3' HD11 ' A' ' 62' ' ' ILE . 17.8 ttt-85 -122.59 150.1 43.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 51.9 m-80 -102.48 139.73 20.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -41.0 4.65 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -59.62 -41.45 90.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.16 133.84 16.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.068 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 140.38 42.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.706 ' HA ' HG22 ' A' ' 47' ' ' VAL . 53.5 t -76.79 111.74 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.466 ' HB ' HD23 ' A' ' 46' ' ' LEU . 2.3 m -61.41 -56.57 18.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 31.1 tttp -159.12 142.66 14.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.679 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -133.42 144.14 49.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.91 150.27 7.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -74.58 109.63 8.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.813 0.34 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -111.85 176.79 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -115.8 120.04 37.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -96.41 118.54 33.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 5.7 tt0 -56.83 136.89 55.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.914 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.74 0.305 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 84' ' ' ARG . 53.5 m95 -123.64 137.28 54.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -111.46 114.83 28.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -71.64 114.82 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -133.38 169.13 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.679 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 66.9 t-105 -83.12 119.46 24.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.45 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.0 m-85 -105.09 138.43 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG2' ' NE1' ' A' ' 43' ' ' TRP . 88.5 t -140.26 128.53 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 50' ' ' CYS . 38.6 tp -103.94 114.2 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.706 HG22 ' HA ' ' A' ' 22' ' ' VAL . 3.9 t -144.16 130.63 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 t0 65.83 54.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 45.45 27.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.777 ' O ' HD12 ' A' ' 46' ' ' LEU . 68.3 m -135.89 158.33 44.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.662 ' HB2' HD11 ' A' ' 68' ' ' LEU . 3.0 tt -104.16 143.12 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' N ' HD23 ' A' ' 51' ' ' LEU . 47.4 m-85 -139.52 119.23 13.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 13.9 p90 -107.31 118.32 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 59' ' ' GLU . 88.1 m-85 -104.22 179.46 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HB3' HD11 ' A' ' 63' ' ' LEU . 16.6 pttm -80.2 -31.29 38.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -156.57 179.79 8.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.82 -14.89 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 59' ' ' GLU . 41.6 mttp -72.66 -25.14 61.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 0.2 OUTLIER 32.82 54.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.55 -63.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -124.72 132.17 53.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.596 HD11 ' HB3' ' A' ' 16' ' ' ARG . 88.9 mt -58.3 115.31 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.092 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 28.2 mt -74.51 -38.55 62.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.466 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -170.29 119.62 0.82 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.437 ' C ' HG13 ' A' ' 66' ' ' ILE . 12.4 t -91.32 160.96 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.437 HG13 ' C ' ' A' ' 65' ' ' SER . 73.8 mt -148.22 115.94 4.0 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 105.8 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.725 2.284 . . . . 0.0 112.33 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 51' ' ' LEU . 91.0 mt -83.65 -30.25 27.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 tp -50.03 -16.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.604 ' OG ' ' CE1' ' A' ' 92' ' ' HIS . 36.4 t -118.14 33.14 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 92' ' ' HIS . 21.9 m-85 -141.4 165.02 28.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -126.33 95.09 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.813 HG21 ' HB3' ' A' ' 115' ' ' MET . 12.7 t -69.94 128.52 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.11 135.22 13.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.82 159.39 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 87' ' ' THR . 0.2 OUTLIER -72.97 178.57 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.524 ' NE2' ' HD2' ' A' ' 78' ' ' PRO . 2.7 mm100 -107.09 165.15 13.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.524 ' HD2' ' NE2' ' A' ' 77' ' ' GLN . 53.5 Cg_endo -69.83 -12.86 33.61 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 m -128.04 53.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -117.24 169.1 9.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.54 ' O ' HD13 ' A' ' 82' ' ' ILE . 8.5 m120 -83.15 49.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 81' ' ' ASN . 49.2 mm -133.36 90.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t -44.85 -38.9 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 39' ' ' TRP . 50.6 mtt85 -60.6 171.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -109.91 -66.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -74.18 79.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 76' ' ' VAL . 18.5 m -130.73 153.15 49.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 8.7 p90 -144.89 131.29 19.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -122.4 137.03 55.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 71' ' ' PHE . . . -100.71 120.03 39.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -106.78 138.88 42.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.604 ' CE1' ' OG ' ' A' ' 70' ' ' SER . 16.5 t60 -132.84 78.46 1.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -34.97 93.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 151.79 -26.87 0.93 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.6 t -127.61 -75.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -169.1 -175.92 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 60.3 m -125.45 109.51 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -78.82 151.25 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 12.3 m-85 -123.34 138.93 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 29.3 m-85 -140.79 125.08 17.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t -110.09 147.02 34.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.29 151.19 37.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.58 -41.11 89.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m -125.51 158.98 62.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.749 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -21.21 33.56 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.289 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -71.16 -35.75 71.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -77.81 -40.3 40.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -57.52 -59.55 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.0 pt-20 -55.07 -47.96 74.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.487 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -58.35 -45.13 88.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TRP . . . . . 0.512 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 26.4 m95 -58.46 -41.87 86.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 116' ' ' GLY . 97.4 mt -62.07 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -47.22 -43.79 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.06 -53.38 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.813 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.2 mtt -59.51 -63.89 1.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.71 -48.26 9.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.12 -32.71 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.71 -12.75 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -97.72 -25.06 15.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.918 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -154.23 113.86 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.819 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -92.81 177.83 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.75 -179.74 16.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p 43.77 42.14 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.1 p -117.42 -50.69 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.64 152.88 26.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.14 52.94 0.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -173.92 143.01 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.7 112.69 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.1 t -98.51 -47.87 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -129.86 140.42 51.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -122.56 92.9 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 97.0 mmm -122.29 136.33 54.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -167.09 146.73 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.674 ' HG3' HG11 ' A' ' 47' ' ' VAL . 59.8 ttt180 -66.79 108.55 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -50.31 144.64 11.37 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -25.17 28.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -112.32 38.06 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.75 126.07 29.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.566 0.698 . . . . 0.0 111.108 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 131.26 20.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.836 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.1 p -65.68 117.15 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.418 ' CG2' HD23 ' A' ' 46' ' ' LEU . 18.9 m -67.21 -60.58 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.548 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 39.7 tttp -153.22 138.46 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.514 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -132.65 143.79 49.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.46 146.05 6.9 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.4 m95 -70.72 117.78 12.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.8 0.333 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -123.94 168.75 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -108.9 114.23 27.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -94.06 119.18 32.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.93 147.52 33.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.42 166.77 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.5 p -62.96 160.93 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.0 t -42.08 -34.05 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.21 -99.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.4 p -69.29 136.58 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 111.18 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -95.99 100.01 11.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -171.72 172.25 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.48 ' HZ2' HG23 ' A' ' 82' ' ' ILE . 88.6 m95 -113.18 146.28 39.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -125.6 103.81 8.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -64.83 125.86 26.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -142.98 168.76 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.59 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 45.1 t-105 -88.55 117.74 27.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.721 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.4 m-85 -100.81 139.77 36.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 65.2 t -141.18 129.14 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 50' ' ' CYS . 19.4 tp -103.79 113.53 27.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' ' 22' ' ' VAL . 32.4 t -140.99 138.1 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 58.1 54.11 6.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 45.64 29.07 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.434 ' O ' HD12 ' A' ' 46' ' ' LEU . 87.1 m -136.42 155.01 50.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.721 HD21 ' CD2' ' A' ' 44' ' ' PHE . 2.4 tt -100.91 138.31 38.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.466 ' N ' HD23 ' A' ' 51' ' ' LEU . 27.0 m-85 -140.07 119.72 13.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -107.82 129.93 55.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -113.23 153.86 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -54.76 -32.26 59.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -153.82 176.66 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.52 -12.94 36.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -60.16 -35.4 75.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 58.81 44.34 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.53 -58.71 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -149.29 142.93 25.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.428 ' CD1' ' H ' ' A' ' 16' ' ' ARG . 92.9 mt -65.81 118.97 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.6 mt -79.89 -44.1 21.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.37 137.17 5.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.403 ' C ' HG13 ' A' ' 66' ' ' ILE . 69.0 m -116.3 144.96 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.403 HG13 ' C ' ' A' ' 65' ' ' SER . 17.3 mt -139.49 121.17 9.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.57 4.62 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.693 HD11 HD12 ' A' ' 51' ' ' LEU . 38.8 mt -90.18 -24.82 20.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.433 ' O ' HG22 ' A' ' 121' ' ' VAL . 6.5 tp -57.46 -11.79 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.1 m -121.5 40.06 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.447 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 25.1 m-85 -145.68 167.01 24.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -126.6 79.0 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' A' ' 90' ' ' ALA . 59.3 t -52.08 145.17 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.65 138.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.059 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.08 135.61 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.3 m -48.13 148.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -66.25 157.61 80.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 0.28 5.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.2 p -126.93 16.72 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -61.48 175.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -109.52 36.4 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.48 HG23 ' HZ2' ' A' ' 39' ' ' TRP . 3.7 mm -110.67 119.23 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -62.83 -48.68 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -65.2 145.72 55.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -93.38 176.11 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.402 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 9.3 m-70 54.61 53.6 10.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 88' ' ' PHE . 88.6 m -109.93 156.35 20.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -143.88 134.91 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -125.69 148.09 49.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.415 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -115.3 134.82 54.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -128.11 142.91 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.579 ' ND1' HG23 ' A' ' 95' ' ' VAL . 7.7 t-80 -108.34 -2.16 19.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 52.44 47.32 24.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -177.94 -40.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.579 HG23 ' ND1' ' A' ' 92' ' ' HIS . 79.4 t -100.34 -65.81 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -172.14 -178.42 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.9 m -127.76 109.83 12.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -82.75 162.62 21.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 12.7 m-85 -136.22 151.76 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 42.9 m-85 -155.92 117.08 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 t -92.91 157.96 16.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.14 138.21 46.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.23 -50.61 73.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -113.07 154.04 45.18 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.677 0.751 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.402 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.1 Cg_endo -69.77 -17.51 37.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -74.17 -37.79 63.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.464 ' OE1' ' N ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -71.16 -45.56 63.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -54.23 -58.9 5.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.4 pt-20 -53.82 -48.82 69.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.34 -44.53 80.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.548 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 32.5 m95 -60.0 -46.06 90.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.5 mt -58.35 -33.86 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -58.43 -44.02 88.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.81 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.408 ' HB3' HG21 ' A' ' 73' ' ' VAL . 5.8 mtt -63.23 -57.42 10.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -48.19 -49.92 23.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.53 -56.85 7.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.93 -24.68 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -73.28 -49.51 27.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -38.51 144.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 69' ' ' LEU . 4.0 t -102.48 -23.13 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 p -90.29 -53.61 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.921 0.391 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -155.18 140.81 17.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.55 60.6 0.47 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -65.25 134.32 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 p -141.09 136.66 32.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.45 -115.79 0.78 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.03 156.98 44.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -69.33 -56.0 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -115.3 -50.95 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 t -154.72 138.48 16.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -85.13 -54.28 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.4 p -113.63 149.92 33.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 85.2 mmm -80.72 128.63 33.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -143.03 143.75 32.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HE ' HG21 ' A' ' 47' ' ' VAL . 24.5 ttt180 -87.63 134.84 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -91.08 142.22 27.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -39.02 7.0 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -60.97 -41.31 96.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.45 132.3 53.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.582 0.706 . . . . 0.0 111.073 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 132.32 22.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.796 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.5 p -67.94 116.16 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.599 ' CG2' HD23 ' A' ' 46' ' ' LEU . 26.7 m -64.6 -56.95 10.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.565 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 21.5 tttp -152.03 136.18 16.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -129.15 137.39 51.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.053 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.5 149.53 9.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.523 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 69.9 m95 -72.38 108.55 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.1 mt -111.81 173.41 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 4.3 m-85 -120.85 131.4 54.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -109.0 118.67 37.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 8.6 tt0 -48.94 148.75 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.88 128.8 37.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.0 m -90.54 125.69 35.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.2 t 41.64 44.24 2.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.64 176.68 23.64 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.1 p -53.31 148.24 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 111.166 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -54.77 111.17 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -170.13 174.44 5.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.454 ' CZ2' ' HG3' ' A' ' 31' ' ' GLN . 69.1 m95 -137.24 113.65 10.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -86.04 127.13 34.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 11.3 tttp -88.6 125.74 34.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -142.92 158.64 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 53.2 t-105 -75.5 116.36 16.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.653 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.6 m-85 -100.58 137.15 39.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.42 129.6 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.599 HD23 ' CG2' ' A' ' 23' ' ' THR . 23.5 tp -103.39 113.66 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.796 HG22 ' HA ' ' A' ' 22' ' ' VAL . 23.4 t -141.21 132.49 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 t70 60.34 54.77 3.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.556 ' HA ' ' HB1' ' A' ' 118' ' ' ALA . 26.2 mtt85 46.07 25.57 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.511 ' O ' HD12 ' A' ' 46' ' ' LEU . 63.1 m -129.68 156.11 44.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.653 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.3 tt -106.33 130.82 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 42.3 m-85 -133.5 119.34 19.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 48.0 p90 -107.3 125.12 50.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.978 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' HG12 ' A' ' 62' ' ' ILE . 76.8 m-85 -108.29 143.0 37.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HB3' HD11 ' A' ' 63' ' ' LEU . 11.1 pttp -43.91 -34.01 1.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -143.2 -175.41 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 13.8 pt-20 -83.37 41.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -101.11 -31.33 11.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' HA ' ' CG ' ' A' ' 54' ' ' TYR . 41.2 mt-10 54.5 51.06 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -115.32 -61.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -105.56 115.95 31.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.5 HG12 ' CE2' ' A' ' 54' ' ' TYR . 32.7 mt -78.94 121.89 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 55' ' ' LYS . 38.6 mt -81.6 -39.4 24.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' HA3' ' CE1' ' A' ' 53' ' ' TYR . . . -155.4 139.44 6.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 66' ' ' ILE . 15.6 m -121.95 143.54 49.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 65' ' ' SER . 19.8 mt -140.11 120.4 9.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 96.81 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' A' ' 51' ' ' LEU . 84.5 mt -67.8 -31.41 71.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 121' ' ' VAL . 9.2 tp -50.89 -16.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.576 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 4.5 m -117.29 37.86 3.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -142.13 174.71 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -133.07 90.77 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.705 HG21 ' HB3' ' A' ' 115' ' ' MET . 13.4 t -68.42 139.35 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.07 139.02 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.08 141.68 49.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.925 HG22 ' O ' ' A' ' 87' ' ' THR . 6.1 m -57.41 -176.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.45 ' CD ' ' HD2' ' A' ' 78' ' ' PRO . 2.1 mm100 -110.62 161.99 22.45 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.45 ' HD2' ' CD ' ' A' ' 77' ' ' GLN . 53.7 Cg_endo -69.77 -4.84 14.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.1 t -133.11 31.96 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -89.94 167.95 12.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -84.83 52.99 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.4 mm -133.61 103.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 t -45.12 -46.61 11.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.7 mtt85 -61.97 175.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -113.0 -62.14 1.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 10.1 m-70 -74.3 71.91 1.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.925 ' O ' HG22 ' A' ' 76' ' ' VAL . 16.7 m -128.53 146.75 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 3.8 p90 -138.03 139.23 39.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -122.58 145.81 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 97' ' ' THR . . . -104.18 128.23 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -119.0 131.54 56.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 70' ' ' SER . 10.9 t-160 -100.58 -15.41 17.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 59.3 41.06 20.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -164.54 -33.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.466 HG12 ' HD2' ' A' ' 96' ' ' ARG . 6.8 t -117.72 -65.47 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.466 ' HD2' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -168.37 -179.9 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 90' ' ' ALA . 43.4 m -126.58 112.99 16.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 15.2 m-85 -85.23 153.0 22.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 18.7 m-85 -121.0 145.51 47.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 39.2 m-85 -147.43 118.61 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -91.92 165.63 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.799 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -139.58 131.95 28.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -50.2 -52.9 31.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 m -116.59 159.33 40.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.695 0.759 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.7 Cg_endo -69.76 -26.49 27.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.59 -34.31 77.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -77.44 -39.85 45.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -56.42 -53.06 61.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.5 pt-20 -62.04 -48.63 79.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.493 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.28 -45.08 80.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.565 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 33.1 m95 -59.72 -44.65 93.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.25 -43.54 90.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -50.75 -44.22 58.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.65 -57.04 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.705 ' HB3' HG21 ' A' ' 73' ' ' VAL . 7.1 mtt -56.69 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -37.94 -53.69 1.99 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -65.13 -53.73 40.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 49' ' ' ARG . . . -59.76 -13.46 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.6 -38.35 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -75.35 143.9 42.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 69' ' ' LEU . 47.6 t -103.06 84.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m -156.0 142.69 18.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.829 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -158.17 116.17 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.58 106.03 1.64 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -93.49 110.1 21.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.1 p -85.49 169.69 13.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.812 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.46 -149.8 10.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.39 128.18 3.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.529 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -70.69 -48.1 56.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.6 mtt85 -108.69 99.2 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.8 p -80.78 137.02 36.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -74.01 -47.71 35.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 t -173.67 156.31 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 98.5 mmm -59.49 118.47 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.02 157.22 40.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HD2' ' CD2' ' A' ' 52' ' ' PHE . 21.1 ttt-85 -116.97 145.23 43.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -108.74 142.7 26.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.941 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -38.18 8.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.58 -39.86 92.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.82 133.7 28.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.692 . . . . 0.0 111.089 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 130.92 20.18 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.8 ' HA ' HG22 ' A' ' 47' ' ' VAL . 99.2 t -66.93 116.27 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.538 ' CG2' HD23 ' A' ' 46' ' ' LEU . 24.9 m -64.84 -63.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.559 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 32.0 tttp -155.25 133.54 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.14 140.54 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.071 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.9 152.57 14.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.502 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 91.6 m95 -72.58 111.87 8.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -118.48 172.82 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -115.35 114.7 25.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -99.12 108.66 21.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 39' ' ' TRP . 3.7 tt0 -56.99 130.42 45.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.14 150.16 38.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.8 t -117.52 -62.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 t -84.49 84.27 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.81 -152.66 24.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.624 HG13 ' HG2' ' A' ' 38' ' ' GLN . 7.2 p -69.81 138.09 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -66.91 97.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.624 ' HG2' HG13 ' A' ' 36' ' ' VAL . 9.7 pt20 -162.56 165.15 26.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.463 ' CE2' ' HG3' ' A' ' 31' ' ' GLN . 63.1 m95 -101.36 133.93 45.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -108.64 107.08 17.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 53.3 tttt -72.31 119.93 17.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.0 mmt-85 -140.87 159.38 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 38.6 t-105 -74.27 116.89 15.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.831 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.0 m-85 -101.68 137.99 39.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.3 t -139.46 129.11 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.538 HD23 ' CG2' ' A' ' 23' ' ' THR . 18.9 tp -103.72 114.06 28.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.8 HG22 ' HA ' ' A' ' 22' ' ' VAL . 20.5 t -140.94 132.42 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t70 63.17 53.2 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 46.83 29.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.497 ' O ' HD12 ' A' ' 46' ' ' LEU . 4.6 t -136.03 152.85 51.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.831 HD21 ' CD2' ' A' ' 44' ' ' PHE . 1.9 tt -99.34 137.81 37.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.564 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 38.1 m-85 -138.93 119.21 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.452 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 19.8 p90 -107.14 124.33 49.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 79.0 m-85 -104.29 160.9 14.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HB3' HD11 ' A' ' 63' ' ' LEU . 21.7 pttt -58.2 -38.86 77.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -150.36 178.62 8.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -61.19 -14.17 23.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -65.18 -29.59 70.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.552 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 27.8 mt-10 52.49 46.6 26.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.04 -53.94 48.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -150.41 137.59 19.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.418 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 73.4 mt -64.94 116.14 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 55' ' ' LYS . 78.2 mt -72.99 -39.64 65.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.47 142.74 8.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -114.72 151.81 33.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -145.62 117.0 5.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 123.29 9.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.642 HD11 HD12 ' A' ' 51' ' ' LEU . 64.6 mt -96.12 -23.79 16.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 69' ' ' LEU . 8.2 tp -53.73 -14.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -104.17 -26.14 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.544 ' CG ' ' HB2' ' A' ' 92' ' ' HIS . 17.9 m-85 -86.27 168.45 13.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.42 ' HE ' ' CG ' ' A' ' 91' ' ' GLU . 13.0 ptt180 -130.24 70.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.663 HG21 ' HB3' ' A' ' 115' ' ' MET . 95.3 t -36.56 149.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.02 127.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.03 146.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 87' ' ' THR . 9.9 m -57.87 167.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -102.0 157.9 32.81 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.68 3.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 m -127.3 25.2 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -97.88 161.27 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -86.26 38.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.406 ' O ' HG22 ' A' ' 82' ' ' ILE . 37.9 mm -112.28 84.84 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 t -49.82 -44.61 49.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -50.86 154.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.437 ' HD3' ' NE2' ' A' ' 86' ' ' HIS . 3.7 ptpt -103.91 163.74 12.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.437 ' NE2' ' HD3' ' A' ' 85' ' ' LYS . 3.9 m-70 52.57 50.93 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.823 ' O ' HG22 ' A' ' 76' ' ' VAL . 51.6 m -115.07 148.92 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -139.63 138.88 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -119.02 146.96 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -109.89 120.61 43.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' CG ' ' HE ' ' A' ' 72' ' ' ARG . 3.0 pt-20 -107.47 138.26 44.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.544 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 6.6 t-160 -134.55 78.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -33.4 93.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 152.62 -31.61 0.84 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.28 -75.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.109 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -171.83 -174.98 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.9 m -122.08 107.85 12.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -79.93 154.81 28.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 24.7 m-85 -124.06 145.42 49.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -147.74 117.9 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 t -96.88 162.77 13.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 108' ' ' GLN . . . -136.14 133.37 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.83 -50.2 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 m -118.7 158.27 47.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.405 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.6 Cg_endo -69.74 -17.72 37.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -71.57 -35.91 70.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.81 -47.12 22.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 17.9 tt0 -51.26 -63.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.6 pt-20 -53.45 -49.66 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.514 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -57.31 -36.26 70.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.559 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 31.0 m95 -67.5 -48.15 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.0 mt -55.8 -38.84 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -53.09 -46.74 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.98 -55.01 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.663 ' HB3' HG21 ' A' ' 73' ' ' VAL . 4.2 mtt -58.41 -62.5 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -39.74 -50.69 3.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.28 -56.9 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.4 -24.72 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -83.07 -41.45 18.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -39.17 158.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 t -97.49 -16.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -155.59 168.87 25.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -123.45 141.37 52.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.15 63.67 0.56 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -158.19 115.17 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 t -152.6 150.94 30.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.3 -93.97 0.1 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.74 156.27 16.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -161.18 140.4 10.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -57.14 122.7 13.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.0 t -63.91 102.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -120.86 -56.79 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.4 m -109.67 131.87 54.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.0 mmm -108.97 116.87 32.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -127.63 160.63 31.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.723 ' NE ' HG21 ' A' ' 47' ' ' VAL . 10.7 ttt180 -101.84 116.16 32.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -67.18 141.89 96.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.651 0.739 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.54 5.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -60.51 -40.77 92.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.17 129.02 40.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.543 0.687 . . . . 0.0 111.148 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.16 20.67 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.722 2.282 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.803 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.6 p -69.15 114.07 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 m -59.86 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.571 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 9.1 tttm -146.24 145.24 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.789 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -133.75 138.55 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.75 141.98 5.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.552 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 62.5 m95 -71.45 107.73 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 111' ' ' TRP . 46.0 mt -113.93 178.63 4.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 41' ' ' LYS . 19.6 m-85 -120.29 136.73 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -113.8 121.6 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.68 139.2 56.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . . . -70.41 -74.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.5 t -169.0 -176.44 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' GLY . 96.5 p -53.89 -35.8 61.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -33.88 -91.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.547 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.459 ' O ' ' C ' ' A' ' 37' ' ' LYS . 33.7 m -111.68 9.2 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 36' ' ' VAL . 3.4 ptpt 32.73 54.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HG2' ' HB2' ' A' ' 32' ' ' ALA . 2.0 pt20 -74.49 -174.99 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.664 ' CD1' ' CZ ' ' A' ' 84' ' ' ARG . 88.8 m95 -143.61 105.01 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -95.17 106.26 18.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 35.6 tttt -59.76 123.76 17.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -145.06 154.12 42.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.789 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 49.0 t-105 -72.77 121.13 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.458 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -103.83 146.05 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -147.74 128.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 50' ' ' CYS . 25.1 tp -103.31 113.18 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.803 HG22 ' HA ' ' A' ' 22' ' ' VAL . 36.9 t -141.36 133.69 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 57.61 54.96 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 45.7 27.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.41 ' O ' HD12 ' A' ' 46' ' ' LEU . 52.8 m -132.83 149.02 52.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.722 HD12 HD11 ' A' ' 68' ' ' LEU . 3.8 tt -101.4 129.24 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CD2' ' HB2' ' A' ' 16' ' ' ARG . 30.1 m-85 -130.93 119.56 22.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 40.2 p90 -106.66 125.76 51.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.484 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 96.5 m-85 -110.72 147.08 35.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.702 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -54.36 -29.21 47.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 4.0 p30 -146.53 167.26 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.23 -13.05 46.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -59.02 -36.85 75.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 60.88 51.83 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.81 -49.9 13.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -145.87 137.91 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.484 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 61.2 mt -72.19 118.77 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 55' ' ' LYS . 65.3 mt -72.9 -44.13 61.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.5 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -155.03 124.96 1.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.2 p -99.24 140.04 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.7 mt -138.51 118.09 9.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.647 0.737 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 126.01 12.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.722 HD11 HD12 ' A' ' 51' ' ' LEU . 80.2 mt -101.41 -23.43 14.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.974 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.409 ' O ' HD12 ' A' ' 69' ' ' LEU . 5.2 tp -57.06 -12.19 1.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 19.9 m -119.88 34.06 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -137.85 175.11 9.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 91' ' ' GLU . 60.1 ttm-85 -134.91 84.97 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.808 HG21 ' HB3' ' A' ' 115' ' ' MET . 46.8 t -56.51 143.68 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.29 135.43 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.28 137.5 57.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 87' ' ' THR . 5.9 m -46.54 153.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -87.1 157.9 53.39 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 2.14 3.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.2 p -109.22 -16.88 13.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -53.45 169.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -113.64 33.66 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mm -88.92 103.65 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.6 m -40.73 -39.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.664 ' CZ ' ' CD1' ' A' ' 39' ' ' TRP . 27.5 mtt85 -62.82 178.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -119.17 -64.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.6 m-70 -77.19 81.08 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.493 ' O ' ' NE2' ' A' ' 108' ' ' GLN . 52.1 m -130.79 157.56 42.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 4.1 p90 -144.84 131.21 19.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 16.9 pttt -112.8 137.04 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -104.99 122.21 45.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' ARG . 3.0 pt-20 -118.72 151.3 38.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 70' ' ' SER . 13.7 t-80 -120.98 1.48 10.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 45.35 47.42 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.2 -30.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.433 HG23 ' ND1' ' A' ' 92' ' ' HIS . 25.1 t -108.88 -70.3 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.527 ' CG ' ' N ' ' A' ' 97' ' ' THR . 15.3 ttm180 -172.44 165.2 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.527 ' N ' ' CG ' ' A' ' 96' ' ' ARG . 28.3 m -116.17 106.31 13.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -86.94 163.86 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 34.2 m-85 -127.59 153.39 46.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 78.2 m-85 -155.46 122.63 5.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 t -98.51 159.68 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 108' ' ' GLN . . . -133.54 121.04 21.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -39.88 -50.43 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -115.91 157.08 45.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.659 0.742 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.79 -19.87 35.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.367 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -75.04 -33.29 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.49 -48.75 38.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 15.7 tt0 -51.79 -58.39 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.522 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.2 pt-20 -55.87 -49.86 72.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.522 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.0 -43.88 73.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 39.4 m95 -61.18 -58.23 9.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 116' ' ' GLY . 85.4 mt -41.54 -38.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -56.09 -44.89 79.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.0 -47.02 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.808 ' HB3' HG21 ' A' ' 73' ' ' VAL . 8.9 mtt -68.9 -63.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -42.93 -44.57 5.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -73.24 -61.89 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.14 -29.86 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 120' ' ' ARG . . . -66.25 -45.17 81.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' ALA . 17.9 mtp85 -34.55 129.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.4 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 13.4 p -95.24 -13.86 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -151.64 172.6 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 0.0 110.87 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -78.01 124.75 28.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.22 145.3 8.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -83.47 165.35 19.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -98.64 132.54 43.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.54 -98.33 0.14 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.54 149.91 7.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -65.93 171.67 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 9' ' ' LYS . 92.1 mtt180 -35.54 146.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.3 t -83.77 -58.17 2.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -142.01 131.35 23.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.5 t -143.76 108.81 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 74.3 mmm -82.81 169.32 16.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -173.9 160.19 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.788 ' HE ' HG21 ' A' ' 47' ' ' VAL . 37.6 ttt-85 -89.67 140.39 29.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.41 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 88.6 m-20 -79.34 151.05 74.76 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.719 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -39.69 6.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -97.55 41.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -109.15 122.99 38.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.56 0.695 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 131.3 20.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.887 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.5 p -67.88 114.57 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -64.37 -56.33 15.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 40.4 tttp -155.25 132.33 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.922 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -124.11 143.77 50.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.09 140.65 3.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.454 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 72.3 m95 -71.18 112.4 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 mt -117.96 173.94 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -109.6 127.54 54.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -103.29 109.12 20.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.495 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 7.2 tt0 -55.06 140.0 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.93 173.66 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -80.67 169.75 17.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -47.88 142.21 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.25 -71.83 0.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 p -95.54 144.26 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -107.4 90.64 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -150.94 158.27 43.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.495 ' CZ2' ' HG3' ' A' ' 31' ' ' GLN . 80.9 m95 -117.77 126.48 52.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -99.79 115.88 30.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -81.03 117.25 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -138.75 162.25 35.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.922 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 47.5 t-105 -75.32 115.82 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.4 m-85 -102.1 134.15 45.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.412 ' CG2' ' NE1' ' A' ' 43' ' ' TRP . 37.9 t -138.57 131.04 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 50' ' ' CYS . 24.7 tp -103.37 113.33 26.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.887 HG22 ' HA ' ' A' ' 22' ' ' VAL . 76.4 t -140.4 135.86 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 60.2 53.32 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.516 ' HG3' ' HB1' ' A' ' 118' ' ' ALA . 23.9 ttp180 45.35 31.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.588 ' O ' HD12 ' A' ' 46' ' ' LEU . 11.5 m -138.4 155.19 48.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.7 tt -100.68 131.3 46.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' N ' HD23 ' A' ' 51' ' ' LEU . 24.8 m-85 -131.43 119.39 21.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 42.2 p90 -105.98 123.08 47.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -109.77 164.47 12.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -63.37 -35.2 79.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -153.95 -177.68 6.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.47 -17.42 63.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -58.58 -38.54 78.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 57.01 49.68 13.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -65.89 -44.89 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 m -155.16 146.25 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 16' ' ' ARG . 61.4 mt -73.08 115.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 18.4 mt -72.5 -35.59 68.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.407 ' HA3' ' CE1' ' A' ' 53' ' ' TYR . . . -166.21 129.99 2.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.438 ' C ' HG13 ' A' ' 66' ' ' ILE . 77.3 p -103.57 150.37 24.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.833 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.438 HG13 ' C ' ' A' ' 65' ' ' SER . 68.1 mt -147.46 115.36 4.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.12 4.9 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 51' ' ' LEU . 33.7 mt -86.27 -27.71 24.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 tp -50.52 -16.93 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.429 ' HB2' ' NE2' ' A' ' 92' ' ' HIS . 15.5 p -104.7 -23.5 13.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.961 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 18.0 m-85 -87.58 163.44 16.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.449 ' NH1' ' OE2' ' A' ' 91' ' ' GLU . 3.1 ptm180 -128.39 70.82 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' A' ' 115' ' ' MET . 51.3 t -40.02 145.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.99 130.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.73 167.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 87' ' ' THR . 0.1 OUTLIER -88.36 -175.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -125.28 154.87 72.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.41 5.65 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.4 m -106.18 -2.58 22.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.79 165.64 14.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -88.18 48.47 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.552 HG13 HG11 ' A' ' 76' ' ' VAL . 30.8 mm -94.57 129.49 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.3 m -80.3 -37.7 32.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -84.17 153.69 23.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -81.28 -63.72 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 4.4 m-70 -78.94 84.81 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.604 ' O ' HG22 ' A' ' 76' ' ' VAL . 23.8 m -130.17 159.2 37.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.491 ' N ' HG22 ' A' ' 87' ' ' THR . 2.7 p90 -153.32 132.82 12.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.34 146.41 43.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.538 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -110.91 139.39 46.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.449 ' OE2' ' NH1' ' A' ' 72' ' ' ARG . 8.8 pm0 -131.76 156.89 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.594 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 23.6 t-160 -116.92 -0.26 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.806 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 54.6 49.18 18.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.65 -41.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 68.5 t -91.93 -74.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.57 ' HD2' ' CE2' ' A' ' 98' ' ' TYR . 17.8 ptp180 -165.64 -177.51 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.2 m -130.16 109.19 10.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.57 ' CE2' ' HD2' ' A' ' 96' ' ' ARG . 26.5 m-85 -85.17 153.94 22.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.562 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 34.1 m-85 -120.47 150.31 41.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 36.9 m-85 -154.2 116.42 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.1 t -104.17 157.73 16.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.44 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.45 -42.44 83.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.1 m -118.77 152.92 52.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.72 0.771 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.76 -21.35 33.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -72.4 -16.92 61.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -92.39 -50.71 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -50.54 -54.09 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.1 pt-20 -58.99 -50.16 75.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.521 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -58.21 -35.1 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.534 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.5 m95 -70.87 -42.16 70.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 116' ' ' GLY . 92.3 mt -61.4 -40.37 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -53.46 -46.72 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.21 -52.74 8.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.815 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.9 mtt -63.29 -61.48 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -45.16 -50.23 9.54 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -67.28 -52.46 40.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.516 ' HB1' ' HG3' ' A' ' 49' ' ' ARG . . . -56.75 -23.71 44.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.961 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -80.6 -32.93 36.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -43.33 135.19 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.3 p -118.91 -13.26 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -124.63 86.25 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -160.95 153.93 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.14 -174.96 45.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 p -144.69 127.29 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 0.0 110.855 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -68.19 119.7 13.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.3 146.05 37.0 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.53 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.57 -61.34 0.77 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.525 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -168.98 154.48 6.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -86.01 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.1 p -167.05 116.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.806 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -104.94 147.45 27.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 p -80.59 151.69 28.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.469 ' HE2' ' HD3' ' A' ' 67' ' ' PRO . 50.6 mtm -112.49 173.33 6.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -143.52 148.72 36.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.568 ' HD2' ' CD2' ' A' ' 52' ' ' PHE . 34.2 ttt-85 -109.73 145.14 37.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -104.7 141.57 22.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -41.77 3.95 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -58.68 -40.37 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.39 130.85 18.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 134.2 27.36 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.653 2.236 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.773 ' HA ' HG22 ' A' ' 47' ' ' VAL . 88.9 t -68.91 115.86 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.475 ' CG2' HD23 ' A' ' 46' ' ' LEU . 3.9 m -66.76 -60.44 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.564 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 48.2 tttp -147.19 145.86 29.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -140.18 127.84 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.14 148.07 10.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 71.7 m95 -72.2 113.4 9.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 mt -116.2 171.93 7.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -117.12 121.64 41.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -107.75 114.28 28.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.24 148.56 18.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.33 102.5 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.9 m -71.35 -51.71 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.6 m -84.47 162.84 19.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 52.87 -140.61 30.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 37' ' ' LYS . 10.6 p -59.14 160.6 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' N ' HG22 ' A' ' 36' ' ' VAL . 15.2 pttp -114.66 97.53 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -161.33 132.33 5.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.451 ' CD1' ' NH1' ' A' ' 84' ' ' ARG . 82.7 m95 -58.78 116.27 3.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -95.04 117.04 29.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -78.11 114.21 16.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -134.45 160.01 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 42.3 t-105 -77.92 116.31 18.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.7 m-85 -100.55 147.32 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.3 t -148.28 138.13 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.475 HD23 ' CG2' ' A' ' 23' ' ' THR . 24.5 tp -110.98 113.25 25.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.773 HG22 ' HA ' ' A' ' 22' ' ' VAL . 15.2 t -142.31 136.56 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 57.45 53.63 7.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.693 ' HG3' ' HB1' ' A' ' 118' ' ' ALA . 11.9 ttm180 45.73 27.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 69.5 m -134.15 149.55 51.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.653 HD12 HD11 ' A' ' 68' ' ' LEU . 3.8 tt -98.61 137.17 37.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 45.2 m-85 -137.98 119.77 15.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 37.8 p90 -104.69 121.75 44.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 79.7 m-85 -103.72 163.65 12.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -61.25 -32.24 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -162.11 -176.13 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.2 -30.43 68.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -47.38 -34.24 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.499 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 33.5 mt-10 53.8 46.23 26.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -60.34 -60.09 4.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 t -148.52 141.72 25.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.501 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 96.4 mt -66.64 126.53 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 59.2 mt -82.5 -38.61 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.01 139.66 6.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.435 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 p -114.28 141.56 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 31.9 mt -139.7 122.25 10.2 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.469 ' HD3' ' HE2' ' A' ' 14' ' ' MET . 54.7 Cg_endo -69.7 124.6 11.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.653 HD11 HD12 ' A' ' 51' ' ' LEU . 28.4 mt -94.78 -25.56 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.757 HD23 ' N ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -58.93 -9.9 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.757 ' N ' HD23 ' A' ' 69' ' ' LEU . 1.8 t -117.78 25.79 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.475 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 29.9 m-85 -137.64 159.03 43.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -116.0 76.04 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.2 t -49.12 146.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.27 156.56 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.26 163.59 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 82' ' ' ILE . 1.8 m -78.12 167.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -113.88 159.5 35.71 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.557 0.694 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -4.25 13.7 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.4 p -104.9 -16.21 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.0 164.62 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -83.89 47.37 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.523 HG13 HG11 ' A' ' 76' ' ' VAL . 48.6 mm -121.64 111.38 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.7 m -70.66 -40.74 72.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.451 ' NH1' ' CD1' ' A' ' 39' ' ' TRP . 29.0 mtt85 -50.05 178.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -116.5 -68.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.414 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.8 m-70 -75.76 72.3 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.474 ' HB ' HG21 ' A' ' 76' ' ' VAL . 34.6 m -126.39 157.86 37.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.474 ' N ' HG22 ' A' ' 87' ' ' THR . 2.5 p90 -150.93 131.94 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.71 146.59 43.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 97' ' ' THR . . . -107.13 148.4 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 92' ' ' HIS . 2.5 tt0 -142.61 150.45 40.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.549 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 3.4 t-80 -116.13 -22.46 8.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 74.77 49.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.84 -26.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.465 HG23 ' ND1' ' A' ' 92' ' ' HIS . 52.6 t -113.15 -66.64 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 111.127 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.501 ' NH1' ' CE1' ' A' ' 98' ' ' TYR . 7.8 ptm180 -174.3 179.66 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 90' ' ' ALA . 82.2 m -126.49 106.88 9.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.501 ' CE1' ' NH1' ' A' ' 96' ' ' ARG . 53.2 m-85 -78.94 154.68 29.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 36.5 m-85 -122.78 151.7 41.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 36.4 m-85 -152.65 119.28 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.9 t -104.85 141.99 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 108' ' ' GLN . . . -116.77 133.95 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -52.06 -54.2 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.0 m -110.51 157.48 38.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.79 -18.4 36.88 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -72.26 -37.74 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.35 -38.26 56.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 15.8 tt0 -59.97 -57.28 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.6 pt-20 -57.31 -47.75 80.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.97 -52.14 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.564 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 25.7 m95 -51.22 -44.03 61.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 116' ' ' GLY . 78.9 mt -62.3 -38.01 80.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -56.53 -47.87 78.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.98 -51.58 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 6.7 mtt -64.03 -61.82 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -39.59 -51.02 3.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.74 -61.12 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.693 ' HB1' ' HG3' ' A' ' 49' ' ' ARG . . . -50.73 -25.75 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -78.67 -46.4 19.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -41.15 159.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 121' ' ' VAL . 22.2 t -133.51 45.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -159.56 172.43 17.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.373 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 m -88.5 93.51 9.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.86 -121.64 3.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.444 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -42.31 117.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -151.41 139.83 20.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.81 147.37 18.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.99 118.27 3.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -42.8 121.14 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -57.15 -62.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t -137.88 144.23 41.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.6 t60 -77.87 -50.01 13.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.2 m -97.45 164.05 12.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.8 mtp -59.32 134.54 57.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -135.54 168.95 18.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.886 ' HB3' HD11 ' A' ' 62' ' ' ILE . 13.5 ttt180 -124.33 145.56 49.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.448 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 43.7 m-80 -95.33 142.16 24.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -40.35 5.39 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -59.82 -41.8 92.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.37 126.07 15.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.521 0.677 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 131.28 20.94 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.685 2.256 . . . . 0.0 112.304 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.853 ' HA ' HG22 ' A' ' 47' ' ' VAL . 85.9 t -66.27 117.67 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.0 m -64.85 -58.3 6.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -148.89 134.47 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -127.16 149.6 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.4 142.08 3.56 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 60.5 m95 -70.68 105.87 3.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' A' ' 111' ' ' TRP . 47.0 mt -105.81 175.02 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 1.9 m-85 -125.46 108.28 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HG3' ' CE1' ' A' ' 100' ' ' PHE . 21.7 ttpp -93.49 114.3 26.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -44.86 141.62 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.33 124.89 5.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.9 t -95.83 -51.37 4.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.3 p -134.94 103.42 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.18 -141.33 9.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.448 HG23 ' HG2' ' A' ' 38' ' ' GLN . 17.3 m -70.41 177.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.175 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -99.98 93.9 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.448 ' HG2' HG23 ' A' ' 36' ' ' VAL . 9.7 pt20 -174.26 133.06 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -61.9 146.87 48.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -124.49 110.33 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 3.7 ttpm? -73.29 124.27 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -139.85 157.85 45.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.628 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 43.8 t-105 -72.09 112.5 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.749 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.33 137.68 38.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.408 HG13 HG13 ' A' ' 22' ' ' VAL . 53.8 t -139.64 131.08 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 50' ' ' CYS . 44.4 tp -103.24 113.18 26.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.853 HG22 ' HA ' ' A' ' 22' ' ' VAL . 54.3 t -140.41 135.46 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t70 56.51 53.93 8.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 45.5 34.05 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.544 ' O ' HD12 ' A' ' 46' ' ' LEU . 35.9 t -138.93 150.14 45.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.749 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.6 tt -99.15 128.06 45.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' A' ' 50' ' ' CYS . 28.9 m-85 -131.02 119.34 21.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.65 ' CE1' HD12 ' A' ' 63' ' ' LEU . 6.6 p90 -105.69 127.27 52.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.478 ' CD2' ' HA ' ' A' ' 59' ' ' GLU . 75.9 m-85 -113.7 140.49 48.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.716 ' N ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -40.25 -40.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.441 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 2.2 t70 -145.15 -176.7 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -65.97 -20.7 66.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -55.78 -42.72 75.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 33.6 mt-10 62.34 49.29 4.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -60.01 -58.55 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -147.8 125.95 12.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.886 HD11 ' HB3' ' A' ' 16' ' ' ARG . 34.4 mt -47.94 111.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.716 HD11 ' N ' ' A' ' 55' ' ' LYS . 15.3 mt -66.27 -49.56 66.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.85 115.8 0.69 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.487 ' OG ' HG21 ' A' ' 62' ' ' ILE . 14.6 m -86.87 138.42 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 110.873 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.7 mt -130.17 112.96 17.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.652 0.739 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 121.01 7.71 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.357 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.722 HD11 HD12 ' A' ' 51' ' ' LEU . 30.9 mt -94.01 -26.7 16.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.69 -16.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 32.0 p -119.53 42.79 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.51 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 23.4 m-85 -146.52 169.78 18.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -128.64 81.23 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 115' ' ' MET . 45.9 t -56.54 146.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.76 133.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.31 164.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.449 HG21 ' HB ' ' A' ' 87' ' ' THR . 3.8 m -86.16 164.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -114.0 158.86 38.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.54 4.33 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.393 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.0 t -114.65 -4.85 12.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.91 18.29 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.0 m120 52.12 33.48 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.6 mm -97.86 94.26 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.9 p -50.15 -39.26 42.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -63.33 -178.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -127.04 -60.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.9 m-70 -77.92 69.6 4.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 88' ' ' PHE . 98.3 m -131.63 156.56 45.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -137.09 131.56 32.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -105.32 132.14 51.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 97' ' ' THR . . . -111.49 137.31 49.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 pm0 -137.07 153.51 50.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 70' ' ' SER . 7.6 t-80 -116.57 2.09 12.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 48.5 31.72 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.72 -43.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.52 HG23 ' ND1' ' A' ' 92' ' ' HIS . 89.1 t -99.93 -64.0 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.808 0.337 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.496 ' HD3' ' CZ ' ' A' ' 98' ' ' TYR . 9.6 ptm180 -174.13 -175.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 90' ' ' ALA . 95.8 m -127.14 114.92 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.496 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 61.6 m-85 -89.98 172.04 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 33.9 m-85 -142.04 147.56 37.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 9.2 m-85 -150.94 124.07 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -102.82 159.75 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.13 124.03 39.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -49.74 -25.82 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 p -134.74 156.13 78.86 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.649 0.738 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.76 -35.29 12.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.648 2.232 . . . . 0.0 112.379 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -61.01 -38.04 84.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -69.38 -46.27 67.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.06 -62.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.7 pt-20 -52.27 -50.5 62.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.521 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.34 -42.35 73.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.409 ' CE2' HD11 ' A' ' 28' ' ' LEU . 35.1 m95 -61.21 -57.96 10.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 116' ' ' GLY . 85.6 mt -44.88 -41.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.56 -49.46 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.21 -51.51 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.501 ' HB3' HG21 ' A' ' 73' ' ' VAL . 9.5 mtt -63.56 -62.27 1.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.17 -46.3 8.1 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -70.86 -55.27 8.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.95 -31.63 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -67.5 -47.78 69.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 -40.49 137.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.3 t -95.26 -24.64 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -136.47 163.63 30.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.828 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 m -141.52 141.53 33.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.92 -156.36 10.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.2 p -156.09 131.49 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.882 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -55.14 154.9 5.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.66 66.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.9 78.26 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -135.48 158.68 43.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.764 0.316 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mmt-85 -112.8 143.84 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.9 p -110.03 -47.18 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -44.8 -50.29 10.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.9 t -63.59 139.43 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.9 mmm -137.05 149.76 47.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -146.27 170.21 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.665 ' HE ' HG21 ' A' ' 47' ' ' VAL . 46.9 ttt-85 -106.6 137.06 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 55.5 m-20 -76.08 154.33 84.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -33.51 16.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -106.85 38.81 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -99.24 124.32 45.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 111.073 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 140.59 43.28 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.839 ' HA ' HG22 ' A' ' 47' ' ' VAL . 76.6 t -78.72 108.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' LEU . 4.2 m -58.14 -57.13 14.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 41.0 tttp -156.42 132.13 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.516 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -121.61 149.95 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.22 141.62 3.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 76.1 m95 -71.75 123.84 23.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.5 mt -129.61 178.42 6.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -119.29 118.44 31.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -98.72 105.27 17.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -51.59 139.68 20.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.96 128.75 34.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.9 t -108.31 -45.43 3.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.9 m -94.2 92.89 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.67 -135.62 8.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.8 m -81.33 164.69 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.925 0.393 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -89.8 109.67 20.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -167.55 -178.56 4.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -117.59 136.44 53.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -119.41 112.15 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -77.93 120.4 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -138.06 161.21 37.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.578 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 31.8 t-105 -75.35 115.22 14.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.54 135.3 42.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.1 t -138.14 130.47 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 50' ' ' CYS . 27.0 tp -103.34 113.47 26.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.839 HG22 ' HA ' ' A' ' 22' ' ' VAL . 55.1 t -140.03 136.87 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 57.7 54.39 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 46.09 26.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.584 ' O ' HD12 ' A' ' 46' ' ' LEU . 4.5 t -132.29 156.21 46.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.697 HD12 HD11 ' A' ' 68' ' ' LEU . 1.9 tt -102.54 136.1 42.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 50' ' ' CYS . 18.7 m-85 -137.24 121.46 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.442 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 50.7 p90 -109.26 123.55 49.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.517 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 75.9 m-85 -108.54 154.34 22.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -56.92 -29.21 62.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.449 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 6.3 p30 -150.31 -175.14 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -83.0 38.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -102.66 -25.73 13.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 54.4 mt-10 45.15 53.2 8.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -99.34 -54.8 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -127.36 115.01 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.517 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 87.3 mt -65.01 116.34 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.419 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 18.2 mt -69.24 -37.49 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -167.2 126.01 1.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 p -102.7 128.94 49.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.4 mt -117.53 115.75 37.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.466 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 54.4 Cg_endo -69.72 119.01 6.03 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.697 HD11 HD12 ' A' ' 51' ' ' LEU . 23.4 mt -94.41 -25.06 17.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 69' ' ' LEU . 9.6 tp -52.23 -15.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.418 ' O ' ' CG ' ' A' ' 92' ' ' HIS . 15.8 p -125.19 40.73 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 67' ' ' PRO . 17.0 m-85 -140.66 -179.26 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -134.99 102.02 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.463 HG21 ' HB3' ' A' ' 115' ' ' MET . 16.3 t -87.8 137.18 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.02 143.99 3.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.03 158.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 87' ' ' THR . 1.9 m -72.52 174.49 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -114.88 156.56 44.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.4 16.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.2 p -105.5 -7.53 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.16 165.0 25.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 81' ' ' ASN . 2.0 p-10 -90.63 55.25 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.1 mm -126.87 98.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 p -78.43 1.24 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -97.62 129.37 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -80.05 152.62 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 69.14 55.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.539 ' O ' HG22 ' A' ' 76' ' ' VAL . 55.8 m -123.03 155.41 36.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 6.8 p90 -148.07 138.68 22.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.4 OUTLIER -116.15 146.8 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -123.09 122.13 37.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.703 ' HB3' HG23 ' A' ' 97' ' ' THR . 2.9 pm0 -140.82 136.83 32.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.58 ' HB3' HG22 ' A' ' 95' ' ' VAL . 74.9 t60 -83.49 -6.49 59.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 69.66 54.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.59 -20.08 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.643 HG23 ' N ' ' A' ' 96' ' ' ARG . 21.4 m -111.86 -56.39 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 111.138 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.643 ' N ' HG23 ' A' ' 95' ' ' VAL . 7.7 ptm180 -176.87 -179.89 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.703 HG23 ' HB3' ' A' ' 91' ' ' GLU . 63.5 m -134.81 104.39 5.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.433 ' CE2' ' HD3' ' A' ' 96' ' ' ARG . 51.8 m-85 -82.49 160.63 22.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 55.1 m-85 -134.46 147.56 50.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 16.6 m-85 -150.38 122.04 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.8 t -104.84 156.24 18.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -127.53 144.22 51.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.94 -36.87 85.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.1 p -124.06 153.26 67.87 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.686 0.755 . . . . 0.0 110.8 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -25.26 28.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.278 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.55 -17.31 62.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -90.9 -46.95 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -53.36 -57.99 8.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.3 pt-20 -56.82 -49.09 76.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.509 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.55 -43.8 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.519 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 36.9 m95 -60.29 -52.92 63.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 67.0 mt -49.8 -44.46 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -49.25 -42.85 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.35 -54.79 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.463 ' HB3' HG21 ' A' ' 73' ' ' VAL . 5.5 mtt -58.7 -61.95 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -42.65 -48.86 5.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -67.16 -54.61 19.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.24 -15.3 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.68 -41.76 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 29.7 mtp85 -44.02 162.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 121' ' ' VAL . 41.1 t -123.17 -12.74 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.908 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.6 p -111.35 161.56 15.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -95.2 -46.26 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.4 168.74 12.72 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -126.95 151.3 48.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.855 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m -115.11 120.23 39.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.16 -121.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.35 133.33 7.32 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -134.15 173.46 11.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -118.25 -24.18 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.4 m -80.11 120.3 24.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 37.8 p-80 -91.95 152.59 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.9 t -156.9 137.26 12.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 86.5 mmm -49.94 119.0 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -128.43 166.97 17.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 27.6 ttt-85 -128.2 141.67 51.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -97.77 141.93 23.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.37 7.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -59.96 -41.74 92.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.29 129.23 17.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 130.85 20.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.843 ' HA ' HG22 ' A' ' 47' ' ' VAL . 86.4 t -66.31 117.35 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.9 m -64.23 -52.13 60.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -156.79 139.54 15.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.692 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -132.0 140.65 49.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.07 143.6 6.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.547 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 84.3 m95 -72.75 107.5 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.7 mt -112.33 176.03 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -117.1 114.66 24.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -90.97 126.66 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -74.22 138.3 43.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.2 118.3 20.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.065 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 p -97.59 -46.24 6.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -87.61 86.83 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.77 -155.28 19.59 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.467 HG23 ' HG2' ' A' ' 38' ' ' GLN . 34.8 m -48.09 171.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.128 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -106.58 96.33 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.467 ' HG2' HG23 ' A' ' 36' ' ' VAL . 27.3 pt20 -152.82 -179.69 7.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -115.1 138.48 50.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -120.31 95.54 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.408 ' C ' ' HG2' ' A' ' 42' ' ' ARG . 77.4 tttt -54.98 123.75 14.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 41' ' ' LYS . 11.8 mmt180 -145.27 156.35 43.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.692 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 61.1 t-105 -73.69 115.19 12.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.672 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.4 m-85 -100.53 139.93 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.7 t -140.48 131.23 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.087 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.9 tp -103.54 113.78 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.843 HG22 ' HA ' ' A' ' 22' ' ' VAL . 46.7 t -141.07 135.55 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 t70 55.53 54.83 7.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 19.1 mtm105 45.7 27.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 5.3 t -131.82 149.1 52.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.672 HD21 ' CD2' ' A' ' 44' ' ' PHE . 2.7 tt -98.17 132.44 43.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 40.4 m-85 -135.15 119.22 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 31.3 p90 -108.25 127.71 54.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.538 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 63.4 m-85 -115.5 142.84 46.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HE3' ' CE ' ' A' ' 58' ' ' LYS . 9.6 pttp -44.47 -32.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -148.13 -178.85 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.432 ' O ' ' CD ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -79.76 44.1 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.481 ' CE ' ' HE3' ' A' ' 55' ' ' LYS . 2.3 ptmm? -103.31 -33.8 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.538 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 36.2 mt-10 53.91 45.4 27.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -101.22 -57.78 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.0 p -115.25 123.5 48.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 16' ' ' ARG . 73.9 mt -79.05 116.71 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.585 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 56.6 mt -77.95 -45.89 22.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.453 ' HA3' ' CE2' ' A' ' 53' ' ' TYR . . . -152.88 136.24 5.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.438 ' C ' HG13 ' A' ' 66' ' ' ILE . 11.7 t -120.71 146.83 46.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 110.858 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.569 ' CD1' ' CZ ' ' A' ' 98' ' ' TYR . 36.6 mt -143.71 123.38 7.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.191 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 121.43 8.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.559 HD11 HD12 ' A' ' 51' ' ' LEU . 31.0 mt -92.94 -26.16 17.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -53.89 -14.94 1.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 89.3 p -123.07 42.89 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 25.5 m-85 -147.29 155.25 41.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -112.76 80.41 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.82 135.27 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.58 137.83 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.53 143.93 18.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 87' ' ' THR . 11.6 m -53.04 154.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -87.65 157.68 52.04 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.19 2.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 t -127.64 32.05 5.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -108.03 164.25 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -85.78 46.45 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.1 mm -124.4 86.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.9 p -54.43 -44.69 72.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -57.22 121.85 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -80.11 163.65 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.431 ' CD2' ' HD3' ' A' ' 105' ' ' PRO . 6.9 m-70 66.71 46.61 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 88' ' ' PHE . 72.6 m -118.06 157.04 27.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.483 ' N ' HG22 ' A' ' 87' ' ' THR . 5.2 p90 -148.36 131.3 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.588 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -114.34 146.69 40.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.708 ' O ' HG23 ' A' ' 97' ' ' THR . . . -105.8 152.85 22.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 92' ' ' HIS . 1.5 tt0 -147.47 143.61 28.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.591 ' ND1' HG23 ' A' ' 95' ' ' VAL . 4.4 t-80 -109.82 -20.92 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 73.57 41.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.074 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -177.08 -28.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.591 HG23 ' ND1' ' A' ' 92' ' ' HIS . 46.1 t -109.91 -65.6 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -174.64 -178.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 90' ' ' ALA . 60.4 m -127.72 105.46 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.569 ' CZ ' ' CD1' ' A' ' 66' ' ' ILE . 56.3 m-85 -78.87 156.44 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 20.1 m-85 -125.41 151.51 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 18.8 m-85 -155.91 116.25 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.9 t -95.64 161.28 14.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.08 127.29 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -46.73 -50.73 17.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 p -116.6 155.87 48.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.431 ' HD3' ' CD2' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.74 -21.24 33.86 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.688 2.258 . . . . 0.0 112.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.59 -31.54 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -81.4 -43.09 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -55.32 -51.16 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.8 pt-20 -62.71 -50.53 70.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.531 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.71 -49.32 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -56.13 -51.16 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 116' ' ' GLY . 89.6 mt -51.9 -39.54 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -53.71 -45.48 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.84 -55.98 4.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 4.0 mtt -58.64 -57.84 11.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -47.32 -51.67 14.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.535 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -63.93 -63.09 1.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.61 -29.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -66.33 -43.29 86.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 119' ' ' ALA . 15.0 ptt180 -36.52 151.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.3 t -102.18 87.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m -117.02 94.41 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -65.78 -52.1 53.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.14 145.75 5.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -126.29 105.13 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 110.8 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -97.27 56.0 1.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.57 73.35 0.24 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -136.85 -57.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.72 105.87 3.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.341 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -74.31 -48.54 27.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.5 p -70.65 144.15 51.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -73.12 172.57 10.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.6 p -152.28 130.59 12.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.497 ' CE ' ' SG ' ' A' ' 50' ' ' CYS . 65.1 mmm -97.72 149.71 21.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.73 175.02 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 9.0 ttt-85 -130.7 90.83 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -50.3 141.3 16.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.619 0.723 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -41.8 3.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -59.5 -40.13 86.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.66 127.2 13.57 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.572 0.701 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 133.65 26.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.39 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.663 ' HA ' HG22 ' A' ' 47' ' ' VAL . 95.3 t -66.14 114.04 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.556 ' CG2' HD23 ' A' ' 46' ' ' LEU . 46.5 m -65.7 -57.96 6.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.563 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 42.5 tttp -160.31 133.6 6.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.73 147.27 52.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.93 152.6 10.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -72.0 107.02 4.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.84 0.352 . . . . 0.0 110.966 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.477 HD11 ' CE2' ' A' ' 111' ' ' TRP . 29.4 mt -116.2 178.92 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -122.58 131.2 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 31' ' ' GLN . 21.9 tttm -108.85 98.48 7.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' LYS . 5.0 tt0 -35.0 141.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.84 169.8 13.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.7 m -124.77 -56.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 m -89.88 167.74 12.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.82 -121.44 6.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -110.74 153.0 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 111.126 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -68.76 98.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -151.49 156.62 40.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -94.62 148.98 21.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -116.41 119.84 36.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -82.25 111.25 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -133.57 159.89 39.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -78.28 118.43 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.6 m-85 -102.79 141.06 36.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -143.0 129.0 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.556 HD23 ' CG2' ' A' ' 23' ' ' THR . 25.6 tp -103.59 113.23 26.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.663 HG22 ' HA ' ' A' ' 22' ' ' VAL . 4.1 t -144.66 136.02 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 59.86 54.74 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 44.22 27.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.497 ' SG ' ' CE ' ' A' ' 14' ' ' MET . 94.9 m -134.53 152.8 52.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.806 HD12 HD11 ' A' ' 68' ' ' LEU . 3.9 tt -103.6 132.58 49.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 32.1 m-85 -131.43 119.42 21.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 52.1 p90 -105.7 116.44 31.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.521 ' CE2' HG12 ' A' ' 62' ' ' ILE . 70.9 m-85 -102.72 132.3 48.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -37.02 -40.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.405 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 66.4 m-20 -144.22 -177.43 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 11.37 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -81.25 -19.67 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 48.89 47.34 21.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.15 -55.07 7.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.6 m -152.41 138.26 18.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.521 HG12 ' CE2' ' A' ' 54' ' ' TYR . 98.6 mt -70.28 117.54 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 7.2 mt -74.31 -37.75 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.0 143.89 8.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 m -116.4 137.64 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.6 mt -119.45 114.59 34.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 96.47 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.806 HD11 HD12 ' A' ' 51' ' ' LEU . 61.2 mt -76.11 -19.02 58.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.776 HD23 ' N ' ' A' ' 70' ' ' SER . 0.4 OUTLIER -59.63 -9.42 2.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.776 ' N ' HD23 ' A' ' 69' ' ' LEU . 4.5 p -129.57 38.71 3.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -140.26 161.82 36.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -121.33 87.9 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 115' ' ' MET . 4.3 t -65.52 143.31 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.73 132.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.95 156.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 87' ' ' THR . 0.2 OUTLIER -70.53 165.37 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -107.78 160.43 26.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.605 0.717 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -12.87 33.72 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.2 p -96.82 -10.49 26.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 4.5 t0 -65.33 164.72 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -96.19 35.23 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.542 HD11 ' CE2' ' A' ' 99' ' ' PHE . 8.2 mm -99.64 129.46 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.2 p -95.06 33.84 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -126.21 179.2 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.53 -73.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 2.3 m-70 -78.89 82.41 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 76' ' ' VAL . 54.6 m -131.47 155.78 46.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.457 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 2.2 p90 -145.76 131.01 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.57 132.24 56.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.67 114.84 29.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.857 ' HB3' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -124.61 149.68 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.503 ' ND1' HG23 ' A' ' 95' ' ' VAL . 18.7 t-80 -128.39 86.69 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -31.52 92.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 129.26 -0.58 6.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.463 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 96' ' ' ARG . 25.1 t -131.58 -77.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.531 ' CG ' ' N ' ' A' ' 97' ' ' THR . 12.7 ttm-85 -176.82 165.23 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.857 HG23 ' HB3' ' A' ' 91' ' ' GLU . 16.3 m -112.24 140.34 47.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 89' ' ' LYS . 30.4 m-85 -122.93 168.95 11.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 47.6 m-85 -141.45 149.34 40.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.45 ' HB2' ' CE2' ' A' ' 88' ' ' PHE . 41.7 m-85 -156.11 123.55 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 t -98.93 168.82 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.93 32.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -59.44 -44.77 92.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -118.89 153.12 52.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.3 Cg_endo -69.82 -21.86 32.61 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.62 2.213 . . . . 0.0 112.345 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.78 -30.4 64.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.77 -44.64 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -50.29 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.6 pt-20 -52.21 -48.7 64.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.5 -43.72 72.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.3 m95 -60.38 -43.1 96.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 116' ' ' GLY . 83.4 mt -62.53 -34.96 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.89 -41.03 90.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.99 -41.27 18.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.505 ' HB3' HG21 ' A' ' 73' ' ' VAL . 9.9 mtt -73.37 -62.51 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -43.4 -40.12 4.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -75.57 -63.15 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.14 -18.83 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' A' ' 68' ' ' LEU . . . -79.56 -34.49 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -45.66 142.1 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 121' ' ' VAL . 6.2 p -120.87 16.0 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -144.47 109.55 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -104.99 131.0 53.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.36 159.28 13.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -106.12 126.22 51.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 p -139.86 133.9 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.49 -165.17 22.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.42 -62.66 0.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -154.34 169.95 22.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.29 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -138.44 119.49 14.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 t -99.35 -177.71 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -105.79 -50.28 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.8 m -46.08 106.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.7 mmm -56.99 128.35 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.79 164.14 36.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.647 ' CB ' HD11 ' A' ' 62' ' ' ILE . 13.3 tpt85 -102.99 118.54 37.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -99.27 137.1 20.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -35.93 11.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -63.18 -37.41 87.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 126.77 92.68 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 142.96 49.45 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.736 2.291 . . . . 0.0 112.307 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.675 ' HA ' HG22 ' A' ' 47' ' ' VAL . 9.4 p -74.18 116.56 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.505 ' CG2' HD23 ' A' ' 46' ' ' LEU . 28.0 m -67.42 -51.71 48.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.543 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 33.8 tttp -162.06 138.7 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -137.95 150.23 46.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.49 148.26 6.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 76.7 m95 -71.65 112.19 7.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.766 0.317 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 mt -116.78 178.29 4.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 45.0 m-85 -117.86 122.05 42.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -104.15 117.5 34.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.426 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 10.1 tt0 -63.53 140.04 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.26 154.82 40.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.1 m -133.02 147.91 52.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.2 m 44.97 40.64 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -170.61 -153.55 8.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.31 116.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -64.57 83.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -149.61 149.06 30.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.426 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 78.2 m95 -86.07 125.52 33.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -101.46 110.18 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.485 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 32.3 tttp -74.08 125.2 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -145.28 165.83 27.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.527 ' CE3' ' CD1' ' A' ' 27' ' ' TRP . 58.3 t-105 -82.18 116.48 21.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.538 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.3 m-85 -101.23 139.01 37.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -140.02 129.4 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.505 HD23 ' CG2' ' A' ' 23' ' ' THR . 16.5 tp -104.43 114.64 29.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.675 HG22 ' HA ' ' A' ' 22' ' ' VAL . 4.4 t -143.45 132.33 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t70 60.88 53.7 3.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 45.11 37.56 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.4 m -142.78 149.9 39.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.655 HD12 HD11 ' A' ' 68' ' ' LEU . 2.2 tt -98.54 133.0 43.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -131.21 119.38 21.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.534 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 35.9 p90 -109.74 115.99 30.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.591 ' CE1' HG12 ' A' ' 62' ' ' ILE . 86.1 m-85 -104.09 168.87 8.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -65.33 -35.47 81.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -157.03 -177.92 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -64.03 -8.59 12.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -63.14 -44.81 94.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.22 46.03 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.08 -46.71 64.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 t -151.4 141.88 22.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.647 HD11 ' CB ' ' A' ' 16' ' ' ARG . 86.8 mt -70.97 118.06 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 46.5 mt -75.76 -32.66 60.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.534 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -174.48 130.9 1.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.2 m -109.32 136.11 49.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 31.9 mt -128.32 115.85 19.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 121.49 8.18 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.655 HD11 HD12 ' A' ' 51' ' ' LEU . 58.4 mt -93.73 -26.71 16.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 69' ' ' LEU . 7.7 tp -47.81 -18.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.428 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 3.9 p -121.02 40.99 3.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 19.0 m-85 -145.24 176.81 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.55 ' NH2' ' HB3' ' A' ' 93' ' ' ALA . 53.2 mtm180 -133.64 109.31 9.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.617 HG21 ' HB3' ' A' ' 115' ' ' MET . 26.0 t -91.21 147.83 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.63 158.64 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.82 147.1 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 87' ' ' THR . 0.2 OUTLIER -58.79 177.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -120.05 160.51 42.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -14.67 36.26 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.3 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.7 p -99.09 8.72 44.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.41 174.09 10.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -99.55 22.14 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.2 mm -97.63 133.67 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -97.51 -42.09 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.3 mtt-85 -58.88 129.68 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -79.37 164.43 24.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.403 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.9 m-70 59.06 53.17 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.675 ' O ' HG22 ' A' ' 76' ' ' VAL . 3.5 m -117.62 156.89 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.504 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 1.1 p90 -148.55 145.27 27.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -122.64 155.2 36.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.484 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -131.3 119.24 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.799 ' HB3' HG23 ' A' ' 97' ' ' THR . 3.1 pt-20 -138.7 138.05 37.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.559 ' HB3' HG22 ' A' ' 95' ' ' VAL . 79.8 t60 -87.92 0.22 56.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.55 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . . . 62.24 55.0 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.05 -21.67 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.632 HG23 ' N ' ' A' ' 96' ' ' ARG . 18.2 m -112.8 -56.42 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.632 ' N ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -177.55 -178.51 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 91' ' ' GLU . 40.9 m -134.46 102.94 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -78.87 156.35 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.5 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 16.8 m-85 -127.88 150.19 49.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 31.2 m-85 -152.8 120.98 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.6 t -103.65 149.65 24.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -121.94 143.35 49.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.51 -36.46 82.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.5 m -125.52 151.99 71.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.403 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.2 Cg_endo -69.77 -18.52 36.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -77.8 -16.55 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -93.56 -41.27 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 87' ' ' THR . 18.8 tt0 -56.74 -57.49 12.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.3 pt-20 -57.72 -49.24 77.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -53.63 -48.89 68.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.543 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 35.2 m95 -57.05 -49.62 75.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.6 mt -51.89 -42.83 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -50.08 -43.66 51.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.27 -54.62 5.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.617 ' HB3' HG21 ' A' ' 73' ' ' VAL . 10.5 mtt -58.5 -59.87 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -45.81 -56.0 6.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.24 -45.06 96.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.87 -13.66 61.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -106.47 -2.54 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -57.53 -174.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.674 ' O ' HG12 ' A' ' 121' ' ' VAL . 85.5 t -133.24 2.77 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -143.25 130.83 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -171.83 147.65 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.07 70.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 p -117.65 123.49 46.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.358 . . . . 0.0 110.87 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -163.86 119.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.97 173.84 27.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.94 99.25 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp 50.68 42.67 27.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -88.36 38.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 12' ' ' HIS . 2.8 t -73.72 -54.39 8.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 11' ' ' SER . 8.6 p80 -34.57 -48.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.8 p -167.72 132.95 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.6 mtp -90.66 166.54 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -153.23 144.91 23.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.498 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 7.1 ttt-85 -97.02 120.5 37.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -77.97 143.28 65.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -37.15 9.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -63.12 -39.76 95.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.73 129.63 71.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 131.54 21.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.27 . . . . 0.0 112.306 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.796 ' HA ' HG22 ' A' ' 47' ' ' VAL . 5.7 p -66.19 117.27 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -66.11 -63.64 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.529 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 33.1 tttp -150.58 133.54 16.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.94 146.99 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.65 157.48 17.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 94.7 m95 -76.36 112.92 13.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.787 0.327 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 101' ' ' SER . 16.1 mt -120.02 170.59 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 3.4 m-85 -117.93 114.33 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -91.74 124.52 35.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -58.43 154.57 13.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.66 46.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' SER . 35.0 m -41.18 -36.51 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' SER . 1.8 m -35.68 -60.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.96 -88.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.428 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.8 m -43.18 160.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.947 0.403 . . . . 0.0 111.095 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -99.4 101.44 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -164.89 -177.68 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -132.09 135.83 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -112.88 124.34 52.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 18.9 tttm -86.97 108.15 18.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -129.43 158.92 37.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.582 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 49.5 t-105 -73.72 118.45 16.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.583 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.7 m-85 -100.97 141.89 33.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.471 HG21 ' OE1' ' A' ' 59' ' ' GLU . 97.7 t -143.01 128.33 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 50' ' ' CYS . 29.3 tp -103.39 113.61 27.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.796 HG22 ' HA ' ' A' ' 22' ' ' VAL . 17.7 t -141.9 136.12 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 56.91 54.1 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 46.02 28.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.63 ' O ' HD12 ' A' ' 46' ' ' LEU . 70.8 m -133.17 153.09 51.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.758 HD12 HD11 ' A' ' 68' ' ' LEU . 2.8 tt -103.13 131.29 50.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 38.8 m-85 -133.35 119.67 20.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 5.7 p90 -108.32 122.79 47.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.46 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 73.7 m-85 -105.56 149.78 25.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HB3' HD11 ' A' ' 63' ' ' LEU . 44.0 pttt -44.9 -32.36 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -152.99 -175.05 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.582 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 4.4 tp10 -69.24 -26.38 64.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -49.68 -27.18 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.471 ' OE1' HG21 ' A' ' 45' ' ' VAL . 34.4 mt-10 51.5 53.72 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -75.02 -64.16 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.2 t -134.18 143.03 47.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.0 mt -71.78 116.36 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.678 HD11 ' HB3' ' A' ' 55' ' ' LYS . 73.9 mt -74.24 -45.21 49.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.81 115.12 0.64 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 p -90.5 137.2 32.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.6 mt -129.73 115.29 18.03 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 119.52 6.45 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.758 HD11 HD12 ' A' ' 51' ' ' LEU . 22.8 mt -93.96 -25.51 17.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.547 HD12 HG22 ' A' ' 121' ' ' VAL . 5.9 tp -52.43 -15.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 13.0 m -118.83 33.77 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -137.36 174.62 10.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -133.58 89.43 2.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 115' ' ' MET . 49.0 t -66.44 146.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -169.53 134.74 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.61 138.88 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.921 HG22 ' O ' ' A' ' 87' ' ' THR . 3.3 m -53.7 168.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -114.49 158.72 39.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -1.87 9.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.314 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -106.49 -12.56 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.11 156.93 36.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -85.14 46.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.2 mm -114.48 88.75 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.2 m -45.71 -33.22 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -63.53 162.96 11.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -108.18 -58.43 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 5.4 m-70 -76.9 64.39 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.921 ' O ' HG22 ' A' ' 76' ' ' VAL . 52.8 m -130.79 143.46 50.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -127.75 131.63 49.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 2.4 pttm -101.34 133.36 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -111.27 125.4 53.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' ARG . 2.9 pt-20 -124.8 143.44 50.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.692 ' ND1' HG23 ' A' ' 95' ' ' VAL . 3.7 t-80 -106.33 -10.84 16.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 60.96 35.28 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -161.46 -40.84 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.692 HG23 ' ND1' ' A' ' 92' ' ' HIS . 17.9 t -104.97 -71.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 111.1 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.44 ' NE ' ' OH ' ' A' ' 98' ' ' TYR . 6.4 ptt180 -167.36 172.98 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.7 m -114.82 117.63 31.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.44 ' OH ' ' NE ' ' A' ' 96' ' ' ARG . 21.8 m-85 -88.78 171.53 9.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 19.6 m-85 -139.24 141.99 37.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 12.7 m-85 -144.43 132.38 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.446 ' O ' HD23 ' A' ' 28' ' ' LEU . 13.6 t -116.57 160.92 19.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.88 138.4 48.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.71 -44.29 96.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.27 146.42 33.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.845 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.537 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.71 -17.94 37.51 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -77.8 -30.96 51.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -78.67 -40.51 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -52.05 -62.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.3 pt-20 -54.48 -49.04 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.24 -42.08 72.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.529 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.7 m95 -61.1 -52.74 63.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.54 -49.85 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -46.05 -40.44 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.27 -57.29 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.584 ' HB3' HG21 ' A' ' 73' ' ' VAL . 13.4 mtt -57.88 -65.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' MET . . . -37.66 -49.47 1.86 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -68.04 -60.15 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.47 -18.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.54 -43.35 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 120' ' ' ARG . 3.1 ptp180 -68.2 145.6 54.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.547 HG22 HD12 ' A' ' 69' ' ' LEU . 21.9 t -114.2 89.4 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -158.32 136.6 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.359 . . . . 0.0 110.884 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -105.9 149.0 26.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.59 123.12 1.02 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -86.59 166.84 15.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.827 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -140.09 159.8 41.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.41 -117.84 6.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.17 74.42 1.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -83.87 82.48 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -72.38 125.19 26.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.1 p -107.97 94.2 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -163.76 134.91 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -140.36 148.82 41.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 58.0 tpp -91.37 130.18 37.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -141.76 156.78 45.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.64 ' CZ ' HG21 ' A' ' 47' ' ' VAL . 9.1 tpt85 -103.68 135.03 46.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -113.95 139.24 23.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.641 0.734 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.61 30.55 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -69.34 -42.2 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.83 123.52 79.99 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 111.091 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 134.12 27.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.697 ' HA ' HG22 ' A' ' 47' ' ' VAL . 5.0 p -61.36 113.62 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -63.82 -55.34 23.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 32.7 tttp -159.2 134.3 8.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -134.96 131.26 36.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.63 154.32 25.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -72.37 108.46 5.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 0.0 110.956 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' A' ' 111' ' ' TRP . 36.7 mt -120.23 178.05 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 45.8 m-85 -116.8 123.82 48.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -99.71 99.89 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 7.8 tt0 -46.43 148.71 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.82 140.74 33.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.8 m -114.97 -46.75 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -69.23 131.94 45.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.79 -124.06 22.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.547 HG22 ' H ' ' A' ' 37' ' ' LYS . 6.1 p -49.8 167.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.547 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -132.48 64.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -116.89 129.44 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 69.1 m95 -61.92 122.56 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -104.86 99.27 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 19.3 tttm -59.72 120.5 9.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -138.97 158.88 43.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.455 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 38.9 t-105 -74.08 117.67 16.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.3 m-85 -100.35 138.26 37.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.3 t -140.1 129.14 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 50' ' ' CYS . 52.6 tp -103.36 113.93 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 22' ' ' VAL . 15.1 t -142.85 134.67 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 59.09 52.33 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 47.17 28.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.651 ' O ' HD12 ' A' ' 46' ' ' LEU . 17.2 t -133.07 151.32 52.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.677 HD12 HD11 ' A' ' 68' ' ' LEU . 3.9 tt -101.43 129.57 47.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 46.6 m-85 -131.17 119.35 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.6 p90 -108.6 120.65 43.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -104.42 155.88 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' CA ' HD11 ' A' ' 63' ' ' LEU . 10.9 pttp -50.19 -39.36 43.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -155.03 -178.36 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.7 -18.54 54.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -54.93 -35.69 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 58.51 46.41 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -65.24 -63.25 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -143.5 147.24 34.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.54 121.93 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.59 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 45.9 mt -79.39 -40.15 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -164.73 114.54 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.4 p -88.71 141.81 28.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mt -138.76 112.36 8.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.73 4.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.677 HD11 HD12 ' A' ' 51' ' ' LEU . 39.9 mt -84.41 -34.51 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -41.91 -23.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.535 ' HG ' ' CE1' ' A' ' 92' ' ' HIS . 32.4 t -115.78 43.04 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.683 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 16.1 m-85 -143.13 175.08 10.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -133.88 92.85 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 115' ' ' MET . 25.7 t -72.42 142.14 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.06 128.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.4 160.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.425 HG21 ' HB ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -74.48 172.96 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -112.24 160.24 30.88 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.703 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -9.11 25.31 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.6 p -91.13 -20.34 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -67.91 156.73 36.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -94.07 46.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.418 HD12 HG11 ' A' ' 76' ' ' VAL . 1.4 mt -108.92 102.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.2 p -59.8 -47.98 83.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -56.05 137.25 51.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -94.11 175.09 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 52.11 49.98 19.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 88' ' ' PHE . 18.6 m -110.87 159.17 17.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.492 ' N ' HG22 ' A' ' 87' ' ' THR . 1.3 p90 -153.56 132.39 12.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.496 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -118.26 146.57 44.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.91 132.35 53.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -124.6 138.02 54.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.967 ' HD2' HG23 ' A' ' 95' ' ' VAL . 35.1 t60 -106.68 -6.59 17.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 54.16 51.93 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.48 -35.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.967 HG23 ' HD2' ' A' ' 92' ' ' HIS . 11.2 t -109.92 -70.67 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.462 ' NE ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -164.44 -177.31 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.9 m -129.24 104.6 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -78.87 153.47 30.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 11.2 m-85 -122.95 155.27 37.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 31.7 m-85 -155.91 119.38 4.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 t -99.38 157.39 16.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.53 142.99 49.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.46 -46.11 84.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.4 p -117.45 154.55 50.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.747 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -20.53 34.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -73.26 -24.97 60.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -84.09 -42.92 15.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -59.34 -53.04 62.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.5 pt-20 -58.86 -46.03 88.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.452 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -61.83 -47.45 85.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.508 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 31.7 m95 -56.86 -44.25 82.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 116' ' ' GLY . 74.2 mt -58.68 -38.64 72.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -53.54 -46.25 70.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.53 -53.56 6.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.619 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.4 mtt -60.96 -60.85 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.97 -49.09 9.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.63 -45.96 81.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.96 -29.61 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.683 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -78.76 -45.15 21.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -40.87 133.81 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 121' ' ' VAL . 69.3 t -71.33 -13.3 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -80.87 161.16 24.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.824 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -60.41 129.43 41.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.65 98.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 m -49.27 125.18 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.899 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m -78.03 -55.56 5.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.62 -96.09 0.1 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.73 139.41 9.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -81.61 87.98 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.736 0.303 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.7 mtm-85 -44.23 165.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.8 p -58.91 122.73 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -107.54 105.55 15.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.2 p -160.93 169.76 21.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.9 mmm -116.75 139.79 50.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -156.03 172.09 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.565 ' CB ' HD11 ' A' ' 62' ' ' ILE . 9.1 tpt85 -93.76 132.42 38.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -102.82 121.92 47.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.25 35.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.314 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.571 ' ND2' ' C ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -90.36 -33.99 15.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.481 ' N ' ' ND2' ' A' ' 19' ' ' ASN . . . -68.79 131.08 91.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 111.074 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 138.01 36.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.606 ' HA ' HG22 ' A' ' 47' ' ' VAL . 74.3 t -62.23 110.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.474 ' CG2' HD23 ' A' ' 46' ' ' LEU . 31.3 m -59.39 -43.15 92.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.572 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 37.2 tttp -173.76 132.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.48 143.24 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.33 146.83 7.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.494 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 74.7 m95 -72.92 104.7 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -110.6 173.5 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -115.56 116.76 28.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -97.75 108.72 21.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -48.44 145.96 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.6 116.34 4.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 t -67.8 -39.37 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.5 t -153.83 136.26 15.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.73 -153.81 16.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 p -44.88 134.96 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -81.12 99.79 8.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -170.42 135.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -71.69 133.85 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -107.83 121.19 44.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -75.12 126.04 30.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -145.42 154.88 42.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 60.7 t-105 -75.31 122.23 23.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -106.57 134.76 49.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.7 t -139.05 127.89 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 50' ' ' CYS . 18.9 tp -104.1 113.29 26.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 22' ' ' VAL . 9.6 t -143.95 142.45 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 58.36 49.43 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.703 ' HE ' HD22 ' A' ' 69' ' ' LEU . 4.8 tmm_? 46.32 48.8 13.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.715 ' O ' HD12 ' A' ' 46' ' ' LEU . 49.2 t -159.33 156.84 29.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.796 HD12 HD11 ' A' ' 68' ' ' LEU . 2.5 tt -100.3 133.33 44.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.471 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 28.9 m-85 -131.36 119.33 21.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 5.7 p90 -106.61 122.42 46.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.424 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 74.7 m-85 -112.15 154.0 26.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.538 ' N ' HD11 ' A' ' 63' ' ' LEU . 24.4 pttm -54.07 -37.47 64.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -150.32 177.96 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.72 -22.39 57.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -53.48 -37.45 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 21.9 mt-10 53.28 34.18 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -51.73 -59.59 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.9 m -135.08 141.36 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.565 HD11 ' CB ' ' A' ' 16' ' ' ARG . 65.4 mt -68.47 119.59 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.559 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 45.9 mt -72.39 -41.71 66.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -175.46 116.72 0.58 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -82.78 140.31 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.839 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 80.7 mt -129.94 116.19 17.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.567 0.698 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 134.12 27.16 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.796 HD11 HD12 ' A' ' 51' ' ' LEU . 41.3 mt -110.06 -21.27 12.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.76 HD23 ' H ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -51.9 -16.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -100.86 -32.08 10.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.881 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 7.1 m-85 -79.39 169.54 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' VAL . 69.9 ttt180 -130.86 64.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.788 HG21 ' HB3' ' A' ' 115' ' ' MET . 48.6 t -33.69 144.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.92 129.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.45 152.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 87' ' ' THR . 2.5 m -66.22 -176.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.452 ' CD ' ' HD2' ' A' ' 78' ' ' PRO . 5.7 mm-40 -136.18 162.0 59.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HD2' ' CD ' ' A' ' 77' ' ' GLN . 53.7 Cg_endo -69.74 -4.33 13.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.244 . . . . 0.0 112.37 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 t -95.91 -17.73 20.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.63 156.65 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.52 47.29 1.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.8 mm -106.04 126.65 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.7 t -94.79 -43.25 8.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -64.92 135.42 55.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -86.15 161.2 18.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 67.52 50.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.739 ' O ' HG22 ' A' ' 76' ' ' VAL . 37.9 m -122.36 147.93 45.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.499 ' N ' ' CD1' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -131.76 131.38 42.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 8.6 pttt -105.19 135.41 46.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -106.73 131.2 54.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -137.19 134.61 36.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.527 ' ND1' HG23 ' A' ' 95' ' ' VAL . 1.9 t-80 -98.92 -16.57 18.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 70.79 37.24 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.69 -31.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.527 HG23 ' ND1' ' A' ' 92' ' ' HIS . 60.0 t -107.26 -63.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 111.105 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.546 ' HD3' ' CE2' ' A' ' 98' ' ' TYR . 0.2 OUTLIER -175.0 178.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.3 m -122.22 106.42 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 96' ' ' ARG . 30.5 m-85 -81.47 169.88 16.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 20.8 m-85 -140.88 138.27 33.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -139.15 118.5 12.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -96.91 150.08 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -125.5 123.0 38.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.79 -43.36 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.2 p -121.57 153.82 59.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.701 0.763 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -22.86 31.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -74.15 -19.16 60.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -81.41 -54.1 5.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 111' ' ' TRP . 9.8 tt0 -56.49 -63.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 110' ' ' ALA . 7.5 pt-20 -38.97 -44.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 109' ' ' GLU . . . -72.38 -34.14 67.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.572 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 32.0 m95 -68.6 -42.62 77.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 116' ' ' GLY . 79.9 mt -57.77 -39.87 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.22 -46.81 69.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.35 -56.7 4.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.788 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.3 mtt -59.5 -59.33 5.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -47.93 -51.25 19.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -63.36 -55.27 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.98 -21.95 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.881 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -78.8 -45.17 21.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -40.64 146.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 69' ' ' LEU . 15.6 t -117.91 45.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t 37.76 42.19 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 0.0 110.888 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -91.03 165.53 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.31 -161.08 10.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -139.54 176.54 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 m -152.36 144.07 23.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.22 -168.61 23.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.38 41.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.445 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -105.34 165.44 11.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.772 0.32 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.77 149.08 27.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -136.71 110.77 8.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -106.0 -53.06 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.5 p -173.38 147.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 52.7 mmm -118.99 140.52 49.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -149.25 149.38 30.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.947 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.504 ' HE ' HG21 ' A' ' 47' ' ' VAL . 22.2 ttt-85 -74.69 139.95 43.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -86.65 124.13 69.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -13.37 34.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -88.29 -36.01 16.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.4 128.97 93.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 130.45 19.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.699 ' HA ' HG22 ' A' ' 47' ' ' VAL . 95.5 t -52.82 109.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 m -58.53 -59.34 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 10.5 tttm -154.33 138.18 16.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.521 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.17 130.93 45.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.07 142.55 7.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.65 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 68.2 m95 -70.78 106.05 3.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.543 HD11 ' CE2' ' A' ' 111' ' ' TRP . 45.6 mt -110.65 174.04 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 5.8 m-85 -117.06 105.85 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -83.22 116.22 22.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.419 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 0.9 OUTLIER -53.47 159.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.17 175.79 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.5 m -101.14 178.87 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.8 t -48.48 138.91 9.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.36 -57.51 0.44 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.547 HG12 ' HG2' ' A' ' 38' ' ' GLN . 42.3 t -105.07 110.13 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -95.26 85.42 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.547 ' HG2' HG12 ' A' ' 36' ' ' VAL . 4.6 pt20 -174.98 121.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.419 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 57.1 m95 -61.0 143.54 55.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -110.49 112.27 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 36.0 tttt -77.53 119.53 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -141.12 167.61 21.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.65 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 33.5 t-105 -80.71 116.15 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.484 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.21 136.56 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.0 t -138.76 126.88 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.4 tp -103.13 112.96 26.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.699 HG22 ' HA ' ' A' ' 22' ' ' VAL . 12.5 t -143.0 135.73 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t70 58.49 54.6 5.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 44.65 29.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.2 t -134.96 147.58 49.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.53 ' HB2' HD11 ' A' ' 68' ' ' LEU . 3.3 tt -98.91 131.05 45.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 50' ' ' CYS . 35.8 m-85 -131.55 119.25 21.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.573 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 37.5 p90 -109.6 118.69 37.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.448 ' CE2' HG12 ' A' ' 62' ' ' ILE . 66.4 m-85 -103.4 140.92 36.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.621 ' HB3' HD11 ' A' ' 63' ' ' LEU . 18.4 pttm -40.42 -41.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -142.41 -175.1 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' O ' ' CD ' ' A' ' 57' ' ' GLU . 1.9 pp20? -80.88 41.87 0.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -99.86 -32.91 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 54.8 48.31 20.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -106.23 -64.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -111.88 129.21 56.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.448 HG12 ' CE2' ' A' ' 54' ' ' TYR . 81.0 mt -82.93 118.67 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 55' ' ' LYS . 58.8 mt -76.08 -45.18 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.58 134.04 3.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 p -118.01 133.46 55.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.469 HG12 ' CZ ' ' A' ' 98' ' ' TYR . 3.9 mp -119.67 120.73 30.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 80.24 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.376 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 51' ' ' LEU . 87.7 mt -51.37 -33.25 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.504 ' CD1' HG22 ' A' ' 121' ' ' VAL . 6.4 tp -49.32 -18.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 73.2 m -123.21 46.99 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 23.0 m-85 -147.16 166.76 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -122.98 87.88 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 115' ' ' MET . 21.3 t -67.24 144.53 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.99 151.12 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.81 153.52 36.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.618 HG11 HG13 ' A' ' 82' ' ' ILE . 4.0 m -68.97 170.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -120.28 159.51 47.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.636 0.732 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.3 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.6 m -104.8 -19.84 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -73.91 163.34 28.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -83.92 38.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.641 HD11 ' CE2' ' A' ' 99' ' ' PHE . 43.4 mm -99.23 108.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.186 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.8 m -81.81 40.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' CZ ' ' OG ' ' A' ' 101' ' ' SER . 12.4 mtp180 -132.8 175.22 9.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -106.68 -66.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 2.9 m-70 -89.97 83.85 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.503 ' HB ' HG21 ' A' ' 76' ' ' VAL . 77.2 m -133.18 156.52 47.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.477 ' N ' HG22 ' A' ' 87' ' ' THR . 12.1 p90 -150.8 131.17 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.552 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -120.33 145.64 46.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.727 ' O ' HG23 ' A' ' 97' ' ' THR . . . -103.11 150.18 23.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -140.49 134.69 31.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.546 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 6.6 t-80 -106.95 -2.19 21.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 49.81 40.23 19.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.03 -41.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.463 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.413 HG23 ' ND1' ' A' ' 92' ' ' HIS . 95.3 t -103.68 -67.42 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 111.137 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.547 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 6.5 ptm180 -170.41 -177.22 2.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 90' ' ' ALA . 21.1 m -125.0 110.22 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 43.7 m-85 -84.05 150.18 25.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.641 ' CE2' HD11 ' A' ' 82' ' ' ILE . 26.1 m-85 -120.62 143.86 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 98' ' ' TYR . 11.9 m-85 -145.39 118.57 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.436 ' OG ' ' CZ ' ' A' ' 84' ' ' ARG . 12.3 t -104.51 140.5 37.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -113.05 132.69 55.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -46.18 -54.11 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 m -112.91 160.79 29.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.694 0.759 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.422 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.74 -19.13 36.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.93 -37.01 72.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -71.2 -52.02 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -46.03 -60.29 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.535 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 8.3 pt-20 -55.4 -50.63 69.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -51.29 -42.4 61.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.543 ' CE2' HD11 ' A' ' 28' ' ' LEU . 47.8 m95 -64.9 -62.1 1.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 88.5 mt -39.84 -34.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -60.67 -46.76 89.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.68 -46.96 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.464 ' HB3' HG21 ' A' ' 73' ' ' VAL . 4.8 mtt -64.4 -63.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -40.95 -53.77 3.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -60.1 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.38 -17.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.57 -39.53 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.105 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -69.86 137.3 51.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.504 HG22 ' CD1' ' A' ' 69' ' ' LEU . 46.9 t -102.61 87.51 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -154.15 128.81 9.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 m -138.19 142.11 40.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.05 139.4 3.8 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -167.55 119.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 0.0 110.925 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -132.26 162.92 29.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.57 117.16 4.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.11 -176.4 45.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -107.1 96.72 6.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -139.8 112.75 8.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 p -147.93 172.43 14.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -68.72 -47.12 67.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.1 t 61.45 41.71 12.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.8 mtp -134.25 112.19 10.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -123.62 169.11 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HB2' HD11 ' A' ' 62' ' ' ILE . 12.1 tpt85 -106.25 133.92 50.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -123.95 138.97 31.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.704 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -27.86 25.95 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -66.71 -36.75 83.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.7 122.51 82.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 130.97 20.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.738 ' HA ' HG22 ' A' ' 47' ' ' VAL . 67.1 t -58.92 112.22 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.509 HG21 HD23 ' A' ' 46' ' ' LEU . 25.6 m -62.23 -57.86 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.53 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 30.4 tttp -155.86 136.58 13.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.92 131.28 44.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -166.48 158.24 31.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.443 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 68.3 m95 -83.76 102.71 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.781 HD11 ' CE2' ' A' ' 111' ' ' TRP . 8.7 mt -112.79 171.35 7.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 12.9 m-85 -109.91 122.57 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -96.55 106.55 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -45.97 145.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.36 96.19 10.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.6 p -90.55 -35.24 15.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.9 t -39.29 -50.78 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.791 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' VAL . . . -169.08 -88.09 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 35' ' ' GLY . 93.0 t -33.98 149.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -105.69 92.0 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -164.16 167.77 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -110.32 124.3 51.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -111.65 133.98 53.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.546 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -91.94 125.16 36.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -137.17 158.57 44.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 48.3 t-105 -73.04 113.99 10.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.414 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.4 m-85 -100.46 143.58 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.3 t -148.12 128.23 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 50' ' ' CYS . 22.0 tp -103.28 112.98 26.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' A' ' 22' ' ' VAL . 15.8 t -142.46 133.79 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t0 63.93 54.99 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 44.59 29.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.696 ' O ' HD12 ' A' ' 46' ' ' LEU . 79.4 m -138.65 163.51 31.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 52' ' ' PHE . 3.5 tt -109.55 139.65 44.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.54 ' N ' HD23 ' A' ' 51' ' ' LEU . 48.5 m-85 -137.17 119.35 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.6 p90 -106.56 120.34 41.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.429 ' CE2' HG12 ' A' ' 62' ' ' ILE . 79.2 m-85 -108.67 157.38 18.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' HD11 ' A' ' 63' ' ' LEU . 13.8 pttp -51.62 -42.22 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -150.95 -177.31 5.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.9 -24.01 65.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -54.27 -40.77 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 60.55 47.68 8.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.48 -54.47 45.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -146.75 141.36 26.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.571 HD11 ' HB2' ' A' ' 16' ' ' ARG . 78.3 mt -63.96 131.29 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 39.7 mt -87.78 -38.29 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.26 130.29 1.66 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.439 ' C ' HG13 ' A' ' 66' ' ' ILE . 82.6 p -99.2 147.62 24.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.617 HG21 ' CE2' ' A' ' 98' ' ' TYR . 11.1 mt -138.99 120.82 10.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.598 0.713 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 136.8 33.81 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.318 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.414 HD11 HD12 ' A' ' 51' ' ' LEU . 59.7 mt -119.52 -25.72 5.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 tp -46.8 -19.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 68' ' ' LEU . 74.6 m -107.17 -21.83 12.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.976 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 25.5 m-85 -86.94 164.6 16.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -126.45 90.0 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.848 HG22 ' HB2' ' A' ' 90' ' ' ALA . 98.0 t -63.3 146.52 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.47 136.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.84 162.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 87' ' ' THR . 4.1 m -74.58 -177.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -130.85 159.75 69.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 1.36 4.46 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.6 p -101.27 -26.41 13.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -67.97 155.85 38.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -87.55 50.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.0 mm -105.16 131.83 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -80.08 -53.22 6.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -50.05 162.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -96.63 -69.24 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 6.4 m-70 -74.33 82.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.505 ' O ' HG22 ' A' ' 76' ' ' VAL . 88.4 m -131.99 156.16 46.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 0.9 OUTLIER -146.73 131.53 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -114.79 148.33 38.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.848 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -121.49 140.08 52.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.441 ' C ' ' CD2' ' A' ' 71' ' ' PHE . 3.2 pt-20 -139.67 153.37 47.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 1.7 t-160 -103.98 -75.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.611 ' H ' HG22 ' A' ' 95' ' ' VAL . . . -175.94 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 44.14 46.28 8.06 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.657 HG23 ' H ' ' A' ' 96' ' ' ARG . 5.8 m -132.64 -57.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.657 ' H ' HG23 ' A' ' 95' ' ' VAL . 2.5 ptm85 -172.06 166.56 6.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.9 m -134.54 106.84 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.617 ' CE2' HG21 ' A' ' 66' ' ' ILE . 91.8 m-85 -78.58 154.41 30.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 49.8 m-85 -135.3 136.35 41.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 16.4 m-85 -140.43 134.33 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 p -112.71 156.9 22.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . -131.36 123.61 28.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.08 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.9 mm-40 -36.2 -53.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 m -111.94 161.58 25.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.726 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.421 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.79 -18.7 36.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -72.54 -41.14 66.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.89 -45.3 78.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -53.87 -58.93 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.8 pt-20 -56.89 -48.63 77.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.03 -42.69 76.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.781 ' CE2' HD11 ' A' ' 28' ' ' LEU . 33.0 m95 -61.31 -54.39 44.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 116' ' ' GLY . 92.3 mt -48.54 -41.39 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -50.57 -49.4 56.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.68 -55.72 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.409 ' HB3' HG21 ' A' ' 73' ' ' VAL . 4.6 mtt -56.45 -61.03 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -49.52 -53.0 22.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -56.18 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.75 -16.8 7.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.976 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -93.41 -39.98 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -68.17 142.87 55.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.4 t -133.32 102.48 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.436 -0.265 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -157.91 120.42 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -83.2 156.14 23.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.14 113.56 4.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -119.53 95.41 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 t -144.09 134.25 24.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.85 113.86 4.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.77 -70.51 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -76.6 -55.65 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 mtt85 -85.03 41.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -128.93 113.18 14.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -54.26 -52.47 61.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.8 p -133.01 133.26 42.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.9 mtp -96.93 157.64 15.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.76 169.27 23.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.543 ' HB3' HD11 ' A' ' 62' ' ' ILE . 43.9 ttp85 -103.48 121.45 42.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -51.36 143.26 18.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.86 37.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -115.96 38.29 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.78 125.85 31.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.703 . . . . 0.0 111.144 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 134.75 28.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.304 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.852 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.6 p -71.33 113.51 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.463 ' CG2' HD23 ' A' ' 46' ' ' LEU . 19.5 m -63.74 -52.92 58.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.57 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 35.3 tttp -154.01 143.97 21.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.494 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -132.59 140.62 48.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.55 142.48 4.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.521 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.6 m95 -73.33 111.05 8.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.8 mt -114.45 172.25 7.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 23.5 m-85 -120.37 115.39 23.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -95.01 110.25 22.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -48.54 147.13 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.01 108.97 20.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.0 t -98.55 -46.87 5.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 m -55.55 -44.57 76.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.35 -162.93 22.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.745 HG13 ' HG2' ' A' ' 38' ' ' GLN . 4.3 p -44.07 140.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 111.113 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -67.85 94.3 0.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.745 ' HG2' HG13 ' A' ' 36' ' ' VAL . 1.4 pt20 -157.56 169.91 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -104.95 126.41 51.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -104.9 118.27 36.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 27.1 tttt -81.33 124.39 29.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -144.95 157.34 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 37.7 t-105 -71.61 115.14 10.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.487 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -101.07 138.66 37.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.424 HG13 HG23 ' A' ' 22' ' ' VAL . 56.3 t -141.05 129.57 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD23 ' CG2' ' A' ' 23' ' ' THR . 18.5 tp -103.41 113.37 26.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.852 HG22 ' HA ' ' A' ' 22' ' ' VAL . 62.3 t -140.27 138.91 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 t0 55.54 54.28 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 45.92 28.5 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.442 ' O ' HD12 ' A' ' 46' ' ' LEU . 84.0 m -134.71 160.18 38.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.665 HD12 HD11 ' A' ' 68' ' ' LEU . 2.2 tt -106.14 135.22 47.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -136.34 119.52 16.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.7 p90 -107.01 128.11 54.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 89.2 m-85 -109.45 140.2 43.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.489 ' CA ' HD11 ' A' ' 63' ' ' LEU . 29.8 pttt -38.43 -39.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -151.7 -176.45 5.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -80.75 42.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -103.74 -24.81 13.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 52.35 52.29 14.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -97.14 -57.52 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.1 t -140.5 139.69 35.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.543 HD11 ' HB3' ' A' ' 16' ' ' ARG . 89.8 mt -78.19 120.77 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.178 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.489 HD11 ' CA ' ' A' ' 55' ' ' LYS . 31.0 mt -71.39 -43.45 66.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.79 139.1 5.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.435 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 m -108.96 147.12 32.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -139.97 121.25 9.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.672 0.749 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 119.63 6.55 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.665 HD11 HD12 ' A' ' 51' ' ' LEU . 30.7 mt -90.91 -25.64 19.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.782 HD23 ' H ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -57.97 -11.46 2.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.491 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 7.5 p -118.4 34.35 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -141.34 169.21 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -127.82 79.53 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 115' ' ' MET . 38.1 t -55.41 147.3 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -172.35 160.49 4.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.89 156.96 30.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.498 HG11 HG13 ' A' ' 82' ' ' ILE . 3.1 m -76.36 157.31 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -95.5 157.85 35.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 1.3 4.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.39 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.1 m -123.75 28.03 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.29 172.76 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -90.86 47.54 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.498 HG13 HG11 ' A' ' 76' ' ' VAL . 48.2 mm -123.85 108.26 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.6 m -60.78 -43.24 98.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -61.15 138.55 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -77.84 -66.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.416 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.4 m-70 -74.06 81.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.505 HG22 ' N ' ' A' ' 88' ' ' PHE . 54.8 m -133.61 158.53 42.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.505 ' N ' HG22 ' A' ' 87' ' ' THR . 10.7 p90 -153.41 131.12 11.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.589 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -115.69 148.72 39.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.411 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -111.23 137.22 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -129.21 149.33 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 92' ' ' HIS . 8.2 t-80 -114.95 -1.29 13.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 49.42 41.4 20.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.16 -39.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.489 HG23 ' ND1' ' A' ' 92' ' ' HIS . 88.6 t -104.99 -69.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.575 ' HD2' ' CE2' ' A' ' 98' ' ' TYR . 4.3 ptp180 -166.43 -176.92 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.2 m -130.3 107.46 9.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 96' ' ' ARG . 33.8 m-85 -83.06 157.08 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 22.8 m-85 -123.03 148.94 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 98' ' ' TYR . 27.1 m-85 -154.29 120.43 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.4 t -107.9 163.58 13.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.12 138.98 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.48 -51.73 44.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 m -112.54 159.15 35.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.416 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 54.0 Cg_endo -69.73 -26.34 27.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.88 -39.4 90.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.09 -39.35 65.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -56.11 -60.57 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.9 pt-20 -56.82 -46.69 81.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.17 -50.95 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.57 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.7 m95 -55.53 -44.81 77.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 116' ' ' GLY . 83.1 mt -58.16 -37.18 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -55.25 -48.12 74.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.85 -53.17 7.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.063 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.554 ' HB3' HG21 ' A' ' 73' ' ' VAL . 5.5 mtt -61.96 -61.64 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -42.92 -48.12 6.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.53 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.54 -22.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 120' ' ' ARG . . . -77.65 -37.67 49.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 119' ' ' ALA . 22.6 ptt180 -37.64 150.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.9 t -93.36 -15.17 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -105.91 113.75 27.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.835 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -74.32 -48.37 28.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.81 -76.16 0.23 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.522 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m 54.24 46.35 25.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 t -112.64 130.75 55.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.85 82.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.74 126.45 2.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -66.8 83.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 37.17 42.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m -126.61 157.27 39.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -121.95 -52.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.2 m -150.56 162.02 41.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.473 ' CE ' ' SG ' ' A' ' 50' ' ' CYS . 86.6 mtp -56.15 130.39 44.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.92 -179.9 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.557 ' NE ' HG21 ' A' ' 47' ' ' VAL . 8.6 tpt180 -117.62 137.75 52.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -112.6 139.01 22.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.734 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -33.9 15.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -63.18 -40.01 96.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.69 125.51 82.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 130.41 19.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.81 ' HA ' HG22 ' A' ' 47' ' ' VAL . 4.8 p -61.91 117.09 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 m -66.65 -60.54 2.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.492 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 25.7 tttp -147.91 135.27 20.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.481 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -131.89 131.25 42.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 146.69 9.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 82.9 m95 -71.54 105.3 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.8 mt -106.99 174.65 5.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 2.6 m-85 -120.93 111.79 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -92.41 128.41 38.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.407 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 5.9 tt0 -68.71 142.84 54.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.2 110.2 22.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.6 p -99.59 -49.6 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 m -51.03 -49.5 60.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.27 -143.37 14.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.65 138.93 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 111.098 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.39 104.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -172.96 132.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.962 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.493 ' CD1' ' HD2' ' A' ' 84' ' ' ARG . 49.7 m95 -73.65 125.14 27.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -104.35 109.85 21.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 15.9 tttm -65.84 122.26 16.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -141.01 162.19 36.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.576 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 33.4 t-105 -77.08 115.31 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.515 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.64 136.77 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.1 t -139.54 127.08 25.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 50' ' ' CYS . 41.8 tp -103.3 113.3 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.81 HG22 ' HA ' ' A' ' 22' ' ' VAL . 34.8 t -141.41 133.8 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 61.4 54.76 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.9 mtm-85 45.14 27.45 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.66 ' O ' HD12 ' A' ' 46' ' ' LEU . 9.9 t -133.86 151.45 51.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 68' ' ' LEU . 3.6 tt -99.12 135.96 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.518 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 30.4 m-85 -136.77 119.38 16.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 33.2 p90 -110.96 124.32 51.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -112.93 150.21 32.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -48.77 -35.27 13.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -144.41 -175.12 4.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.576 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -81.43 41.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -99.59 -40.14 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 60.24 48.12 8.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -101.59 -64.86 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 p -110.82 123.74 50.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.422 HD11 ' CB ' ' A' ' 16' ' ' ARG . 78.7 mt -72.45 123.79 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 75.9 mt -81.68 -43.78 18.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.11 125.05 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.465 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 p -105.22 138.77 40.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.8 mt -138.48 120.23 10.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.728 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 126.86 13.85 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.318 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 51' ' ' LEU . 33.6 mt -95.96 -30.9 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.79 HD23 ' H ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -53.13 -15.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 12.9 m -117.38 30.02 7.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -134.92 176.93 8.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 91' ' ' GLU . 47.1 ttt85 -133.44 82.33 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.9 t -56.98 144.93 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.03 143.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.3 167.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.499 HG21 ' HB ' ' A' ' 87' ' ' THR . 4.3 m -88.22 158.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -98.76 158.21 32.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.703 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.86 3.16 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.722 2.281 . . . . 0.0 112.296 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.3 t -134.94 34.82 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -110.66 13.71 22.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 13.3 t-20 62.49 38.23 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.5 mm -102.3 103.51 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.3 p -83.68 40.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HD2' ' CD1' ' A' ' 39' ' ' TRP . 27.8 mtp85 -150.56 146.94 26.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -100.08 147.6 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.408 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 6.4 m-70 71.36 52.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.499 ' HB ' HG21 ' A' ' 76' ' ' VAL . 53.2 m -119.42 155.93 31.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.461 ' N ' HG22 ' A' ' 87' ' ' THR . 13.1 p90 -145.97 131.29 18.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -113.97 145.99 40.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 97' ' ' THR . . . -103.87 147.04 27.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 72' ' ' ARG . 1.1 tt0 -142.31 135.18 28.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 70' ' ' SER . 6.7 t-160 -100.03 -20.23 16.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 70.84 28.59 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.56 -33.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.462 HG23 ' ND1' ' A' ' 92' ' ' HIS . 94.9 t -107.46 -64.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.513 ' HD2' ' CZ ' ' A' ' 98' ' ' TYR . 15.3 ptp180 -172.92 -179.34 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 90' ' ' ALA . 92.6 m -125.36 109.63 13.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.513 ' CZ ' ' HD2' ' A' ' 96' ' ' ARG . 68.1 m-85 -82.38 159.39 23.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 59.2 m-85 -125.98 150.52 47.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 52.6 m-85 -156.19 116.4 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.4 t -95.47 161.56 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.76 135.47 45.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -51.85 -54.64 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.7 m -116.33 160.55 35.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.8 -28.63 24.82 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -63.6 -31.32 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.13 -43.97 18.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -52.24 -56.27 15.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.53 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 8.4 pt-20 -60.37 -50.51 73.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.53 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -52.85 -44.48 66.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.492 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 38.1 m95 -62.16 -55.77 25.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.1 mt -45.72 -40.17 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -55.59 -45.5 77.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.84 -55.06 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 4.1 mtt -61.38 -61.26 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 119' ' ' ALA . . . -43.31 -55.11 5.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -55.8 30.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.08 -15.59 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -85.49 -41.22 15.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -74.6 128.2 34.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.2 t -111.5 91.6 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.5 p -124.15 134.89 53.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -126.06 134.3 51.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.98 -164.3 12.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -48.59 144.27 4.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.856 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 p -123.92 163.08 22.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.89 -123.14 1.39 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.446 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.77 -177.65 38.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.469 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -143.29 113.69 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.317 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -146.32 174.0 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -118.75 45.46 2.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -49.92 -51.31 41.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 t -136.38 156.41 48.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.44 ' CE ' ' SG ' ' A' ' 50' ' ' CYS . 9.0 tpp -72.52 155.35 40.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.836 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -129.19 173.36 10.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.75 ' NE ' HG11 ' A' ' 47' ' ' VAL . 10.2 tpt180 -138.48 155.05 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.424 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 35.9 m-80 -131.68 142.47 45.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -38.22 7.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.252 . . . . 0.0 112.364 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -61.92 -41.09 97.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.95 122.95 24.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 130.6 19.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.857 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.1 p -64.96 117.05 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.7 m -65.11 -60.0 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 41.3 tttp -152.74 132.22 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.57 138.68 48.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.11 150.67 12.54 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.488 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.3 m95 -70.61 104.61 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD12 ' CD2' ' A' ' 44' ' ' PHE . 15.6 mt -104.9 178.27 4.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -122.73 103.27 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -77.33 158.23 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 6.5 tt0 -106.36 134.51 49.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.12 118.93 28.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.24 -18.01 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' VAL . 47.6 t -121.76 148.87 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.28 -81.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.548 HG12 ' N ' ' A' ' 37' ' ' LYS . 50.5 t -73.69 160.93 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.937 0.399 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.548 ' N ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -133.25 52.82 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.484 ' HG2' ' CG1' ' A' ' 36' ' ' VAL . 20.6 pt20 -166.84 136.13 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 57.3 m95 -45.36 159.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -139.93 111.25 7.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -64.43 120.57 12.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -143.44 154.88 44.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 49.3 t-105 -73.33 119.84 18.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.1 m-85 -102.59 137.83 40.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -139.08 128.82 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 50' ' ' CYS . 63.3 tp -103.24 113.21 26.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' A' ' 22' ' ' VAL . 47.0 t -140.69 134.57 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.07 54.88 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 45.51 27.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.867 ' O ' HD12 ' A' ' 46' ' ' LEU . 97.3 m -131.53 159.11 39.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 44' ' ' PHE . 2.9 tt -105.76 134.05 49.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.431 ' N ' HD23 ' A' ' 51' ' ' LEU . 53.3 m-85 -135.98 119.47 16.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 28.4 p90 -108.98 125.88 52.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.582 ' CE2' HG12 ' A' ' 62' ' ' ILE . 52.8 m-85 -114.77 138.15 51.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.725 ' N ' HD11 ' A' ' 63' ' ' LEU . 16.5 pttm -38.35 -37.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.441 ' HB2' ' CG ' ' A' ' 58' ' ' LYS . 18.2 m-20 -146.24 173.47 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.503 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 38.2 mt-10 -60.92 -27.63 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -46.92 -39.77 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.499 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 27.2 mt-10 61.25 42.59 11.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -62.74 -56.1 20.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -138.6 137.85 37.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.582 HG12 ' CE2' ' A' ' 54' ' ' TYR . 89.6 mt -67.9 125.23 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.725 HD11 ' N ' ' A' ' 55' ' ' LYS . 26.6 mt -78.77 -42.04 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.77 130.63 2.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.436 ' C ' HG13 ' A' ' 66' ' ' ILE . 19.5 p -99.69 148.83 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.846 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 65' ' ' SER . 47.7 mt -144.81 116.96 5.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 53.7 Cg_endo -69.84 122.69 9.34 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.318 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -94.73 -31.43 13.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.729 HD23 ' N ' ' A' ' 70' ' ' SER . 0.7 OUTLIER -54.37 -12.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.729 ' N ' HD23 ' A' ' 69' ' ' LEU . 32.5 p -123.29 41.02 3.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 67' ' ' PRO . 14.6 m-85 -143.8 -179.3 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -134.63 88.87 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.4 142.85 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.84 151.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' VAL . . . -62.05 141.91 57.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 87' ' ' THR . 3.3 m -48.46 178.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -106.11 163.73 16.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 119.95 6.82 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t 75.0 40.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.24 18.21 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.4 m120 62.48 35.73 14.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 84' ' ' ARG . 28.0 mm -113.98 97.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' ILE . 17.4 m -38.24 -44.23 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 82' ' ' ILE . 36.3 mtp85 -65.51 175.56 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -116.98 -67.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.411 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.7 m-70 -72.49 83.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 88' ' ' PHE . 53.5 m -128.31 155.66 44.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 7.6 p90 -146.45 131.06 17.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.592 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -120.92 145.53 47.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.693 ' O ' HG23 ' A' ' 97' ' ' THR . . . -103.64 154.76 19.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -151.0 132.7 14.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.634 ' ND1' HG23 ' A' ' 95' ' ' VAL . 4.5 t-80 -101.35 -16.09 17.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 69.05 48.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.3 -27.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.634 HG23 ' ND1' ' A' ' 92' ' ' HIS . 46.3 t -109.74 -65.2 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 98' ' ' TYR . 9.8 ptm180 -175.24 -178.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 90' ' ' ALA . 32.2 m -127.44 104.29 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 48.9 m-85 -79.42 155.5 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 16.9 m-85 -123.71 147.55 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 34.6 m-85 -155.25 124.26 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.3 t -109.9 169.63 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -134.79 132.72 39.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.78 -19.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 m -145.96 159.06 47.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.79 -35.18 13.03 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -58.96 -34.58 71.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -77.54 -40.53 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.74 -52.25 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.2 pt-20 -61.27 -49.65 76.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.51 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.21 -47.46 78.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.542 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 30.2 m95 -55.82 -47.74 76.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 116' ' ' GLY . 96.7 mt -57.74 -41.28 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -52.07 -46.51 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.02 -54.66 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.494 ' SD ' HD12 ' A' ' 51' ' ' LEU . 4.9 mtt -61.87 -59.98 4.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -43.81 -51.98 6.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.78 -53.67 43.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.19 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.77 -49.82 42.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -40.03 148.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 121' ' ' VAL . 98.8 t -96.71 -14.66 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -138.32 135.28 35.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -164.28 131.86 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.33 43.3 0.98 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -135.13 138.98 44.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.391 . . . . 0.0 110.82 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 m -126.16 108.5 11.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.03 -158.9 40.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.12 101.61 1.56 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -110.97 101.65 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmm-85 -110.72 111.28 22.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.0 t -160.35 146.72 15.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -109.36 83.48 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -145.93 161.74 39.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.909 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 95.4 mtp -135.47 178.12 7.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -165.28 169.16 16.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.596 ' HB3' HD11 ' A' ' 62' ' ' ILE . 17.8 ttt-85 -122.59 150.1 43.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 51.9 m-80 -102.48 139.73 20.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -41.0 4.65 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -59.62 -41.45 90.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.16 133.84 16.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.068 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 140.38 42.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.706 ' HA ' HG22 ' A' ' 47' ' ' VAL . 53.5 t -76.79 111.74 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.466 ' HB ' HD23 ' A' ' 46' ' ' LEU . 2.3 m -61.41 -56.57 18.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 31.1 tttp -159.12 142.66 14.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.679 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -133.42 144.14 49.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.91 150.27 7.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -74.58 109.63 8.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.813 0.34 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -111.85 176.79 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -115.8 120.04 37.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -96.41 118.54 33.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 5.7 tt0 -56.83 136.89 55.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.15 156.73 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 t -81.93 178.17 8.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.5 m -47.36 115.77 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.05 -94.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 m -87.04 156.06 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -107.17 106.08 16.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -174.42 174.05 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 84' ' ' ARG . 53.5 m95 -123.64 137.28 54.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -111.46 114.83 28.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -71.64 114.82 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -133.38 169.13 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.679 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 66.9 t-105 -83.12 119.46 24.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.45 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.0 m-85 -105.09 138.43 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG2' ' NE1' ' A' ' 43' ' ' TRP . 88.5 t -140.26 128.53 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 50' ' ' CYS . 38.6 tp -103.94 114.2 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.706 HG22 ' HA ' ' A' ' 22' ' ' VAL . 3.9 t -144.16 130.63 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 t0 65.83 54.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 45.45 27.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.777 ' O ' HD12 ' A' ' 46' ' ' LEU . 68.3 m -135.89 158.33 44.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.662 ' HB2' HD11 ' A' ' 68' ' ' LEU . 3.0 tt -104.16 143.12 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' N ' HD23 ' A' ' 51' ' ' LEU . 47.4 m-85 -139.52 119.23 13.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 13.9 p90 -107.31 118.32 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 59' ' ' GLU . 88.1 m-85 -104.22 179.46 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HB3' HD11 ' A' ' 63' ' ' LEU . 16.6 pttm -80.2 -31.29 38.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -156.57 179.79 8.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.82 -14.89 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 59' ' ' GLU . 41.6 mttp -72.66 -25.14 61.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 0.2 OUTLIER 32.82 54.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.55 -63.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -124.72 132.17 53.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.596 HD11 ' HB3' ' A' ' 16' ' ' ARG . 88.9 mt -58.3 115.31 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.092 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 28.2 mt -74.51 -38.55 62.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.466 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -170.29 119.62 0.82 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.437 ' C ' HG13 ' A' ' 66' ' ' ILE . 12.4 t -91.32 160.96 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.437 HG13 ' C ' ' A' ' 65' ' ' SER . 73.8 mt -148.22 115.94 4.0 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 105.8 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.725 2.284 . . . . 0.0 112.33 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 51' ' ' LEU . 91.0 mt -83.65 -30.25 27.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' CD1' HG22 ' A' ' 121' ' ' VAL . 5.4 tp -50.03 -16.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.604 ' OG ' ' CE1' ' A' ' 92' ' ' HIS . 36.4 t -118.14 33.14 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 92' ' ' HIS . 21.9 m-85 -141.4 165.02 28.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -126.33 95.09 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.813 HG21 ' HB3' ' A' ' 115' ' ' MET . 12.7 t -69.94 128.52 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.11 135.22 13.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.82 159.39 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 87' ' ' THR . 0.2 OUTLIER -72.97 178.57 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.524 ' NE2' ' HD2' ' A' ' 78' ' ' PRO . 2.7 mm100 -107.09 165.15 13.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.524 ' HD2' ' NE2' ' A' ' 77' ' ' GLN . 53.5 Cg_endo -69.83 -12.86 33.61 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 m -128.04 53.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -117.24 169.1 9.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.54 ' O ' HD13 ' A' ' 82' ' ' ILE . 8.5 m120 -83.15 49.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 81' ' ' ASN . 49.2 mm -133.36 90.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t -44.85 -38.9 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 39' ' ' TRP . 50.6 mtt85 -60.6 171.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -109.91 -66.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -74.18 79.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 76' ' ' VAL . 18.5 m -130.73 153.15 49.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 8.7 p90 -144.89 131.29 19.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -122.4 137.03 55.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 71' ' ' PHE . . . -100.71 120.03 39.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -106.78 138.88 42.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.604 ' CE1' ' OG ' ' A' ' 70' ' ' SER . 16.5 t60 -132.84 78.46 1.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -34.97 93.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 151.79 -26.87 0.93 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.6 t -127.61 -75.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -169.1 -175.92 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 60.3 m -125.45 109.51 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -78.82 151.25 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 12.3 m-85 -123.34 138.93 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 29.3 m-85 -140.79 125.08 17.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t -110.09 147.02 34.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.29 151.19 37.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.58 -41.11 89.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m -125.51 158.98 62.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.749 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -21.21 33.56 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.289 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -71.16 -35.75 71.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -77.81 -40.3 40.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -57.52 -59.55 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.0 pt-20 -55.07 -47.96 74.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.487 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -58.35 -45.13 88.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.512 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 26.4 m95 -58.46 -41.87 86.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 116' ' ' GLY . 97.4 mt -62.07 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -47.22 -43.79 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.06 -53.38 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.813 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.2 mtt -59.51 -63.89 1.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.71 -48.26 9.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.12 -32.71 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.71 -12.75 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -97.72 -25.06 15.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -89.74 134.03 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.436 HG22 ' CD1' ' A' ' 69' ' ' LEU . 25.1 t -85.05 76.86 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.739 0.304 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.674 ' HG3' HG11 ' A' ' 47' ' ' VAL . 59.8 ttt180 -66.79 108.55 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -50.31 144.64 11.37 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -25.17 28.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -112.32 38.06 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.75 126.07 29.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.566 0.698 . . . . 0.0 111.108 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 131.26 20.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.836 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.1 p -65.68 117.15 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.418 ' CG2' HD23 ' A' ' 46' ' ' LEU . 18.9 m -67.21 -60.58 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.548 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 39.7 tttp -153.22 138.46 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.514 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -132.65 143.79 49.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.46 146.05 6.9 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.4 m95 -70.72 117.78 12.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.8 0.333 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -123.94 168.75 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -108.9 114.23 27.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -94.06 119.18 32.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.93 147.52 33.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.794 0.33 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.48 ' HZ2' HG23 ' A' ' 82' ' ' ILE . 88.6 m95 -113.18 146.28 39.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -125.6 103.81 8.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -64.83 125.86 26.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -142.98 168.76 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.59 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 45.1 t-105 -88.55 117.74 27.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.721 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.4 m-85 -100.81 139.77 36.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 65.2 t -141.18 129.14 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 50' ' ' CYS . 19.4 tp -103.79 113.53 27.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' ' 22' ' ' VAL . 32.4 t -140.99 138.1 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 58.1 54.11 6.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 45.64 29.07 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.434 ' O ' HD12 ' A' ' 46' ' ' LEU . 87.1 m -136.42 155.01 50.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.721 HD21 ' CD2' ' A' ' 44' ' ' PHE . 2.4 tt -100.91 138.31 38.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.466 ' N ' HD23 ' A' ' 51' ' ' LEU . 27.0 m-85 -140.07 119.72 13.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -107.82 129.93 55.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -113.23 153.86 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -54.76 -32.26 59.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -153.82 176.66 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.52 -12.94 36.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -60.16 -35.4 75.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 58.81 44.34 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.53 -58.71 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -149.29 142.93 25.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.428 ' CD1' ' H ' ' A' ' 16' ' ' ARG . 92.9 mt -65.81 118.97 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.6 mt -79.89 -44.1 21.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.37 137.17 5.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.403 ' C ' HG13 ' A' ' 66' ' ' ILE . 69.0 m -116.3 144.96 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.403 HG13 ' C ' ' A' ' 65' ' ' SER . 17.3 mt -139.49 121.17 9.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.57 4.62 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.693 HD11 HD12 ' A' ' 51' ' ' LEU . 38.8 mt -90.18 -24.82 20.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 69' ' ' LEU . 6.5 tp -57.46 -11.79 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.1 m -121.5 40.06 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.447 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 25.1 m-85 -145.68 167.01 24.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -126.6 79.0 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' A' ' 90' ' ' ALA . 59.3 t -52.08 145.17 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.65 138.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.059 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.08 135.61 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.3 m -48.13 148.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -66.25 157.61 80.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 0.28 5.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.2 p -126.93 16.72 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -61.48 175.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -109.52 36.4 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.48 HG23 ' HZ2' ' A' ' 39' ' ' TRP . 3.7 mm -110.67 119.23 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -62.83 -48.68 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -65.2 145.72 55.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -93.38 176.11 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.402 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 9.3 m-70 54.61 53.6 10.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 88' ' ' PHE . 88.6 m -109.93 156.35 20.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -143.88 134.91 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -125.69 148.09 49.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.415 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -115.3 134.82 54.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -128.11 142.91 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.579 ' ND1' HG23 ' A' ' 95' ' ' VAL . 7.7 t-80 -108.34 -2.16 19.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 52.44 47.32 24.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -177.94 -40.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.579 HG23 ' ND1' ' A' ' 92' ' ' HIS . 79.4 t -100.34 -65.81 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -172.14 -178.42 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.9 m -127.76 109.83 12.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -82.75 162.62 21.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 12.7 m-85 -136.22 151.76 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 42.9 m-85 -155.92 117.08 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 t -92.91 157.96 16.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.14 138.21 46.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.23 -50.61 73.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -113.07 154.04 45.18 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.677 0.751 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.402 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.1 Cg_endo -69.77 -17.51 37.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -74.17 -37.79 63.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -71.16 -45.56 63.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -54.23 -58.9 5.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.4 pt-20 -53.82 -48.82 69.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.34 -44.53 80.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.548 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 32.5 m95 -60.0 -46.06 90.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.5 mt -58.35 -33.86 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -58.43 -44.02 88.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.81 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.408 ' HB3' HG21 ' A' ' 73' ' ' VAL . 5.8 mtt -63.23 -57.42 10.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -48.19 -49.92 23.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.53 -56.85 7.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.93 -24.68 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -73.28 -49.51 27.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.9 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 mttt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.332 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HE ' HG21 ' A' ' 47' ' ' VAL . 24.5 ttt180 -87.63 134.84 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -91.08 142.22 27.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -39.02 7.0 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -60.97 -41.31 96.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.45 132.3 53.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.582 0.706 . . . . 0.0 111.073 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 132.32 22.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.796 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.5 p -67.94 116.16 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.599 ' CG2' HD23 ' A' ' 46' ' ' LEU . 26.7 m -64.6 -56.95 10.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.565 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 21.5 tttp -152.03 136.18 16.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -129.15 137.39 51.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.053 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.5 149.53 9.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.523 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 69.9 m95 -72.38 108.55 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.1 mt -111.81 173.41 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 4.3 m-85 -120.85 131.4 54.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -109.0 118.67 37.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.454 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 8.6 tt0 -48.94 148.75 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.794 0.331 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.454 ' CZ2' ' HG3' ' A' ' 31' ' ' GLN . 69.1 m95 -137.24 113.65 10.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -86.04 127.13 34.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 11.3 tttp -88.6 125.74 34.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -142.92 158.64 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 53.2 t-105 -75.5 116.36 16.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.653 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.6 m-85 -100.58 137.15 39.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.42 129.6 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.599 HD23 ' CG2' ' A' ' 23' ' ' THR . 23.5 tp -103.39 113.66 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.796 HG22 ' HA ' ' A' ' 22' ' ' VAL . 23.4 t -141.21 132.49 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 t70 60.34 54.77 3.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.556 ' HA ' ' HB1' ' A' ' 118' ' ' ALA . 26.2 mtt85 46.07 25.57 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.511 ' O ' HD12 ' A' ' 46' ' ' LEU . 63.1 m -129.68 156.11 44.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.653 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.3 tt -106.33 130.82 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 42.3 m-85 -133.5 119.34 19.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 48.0 p90 -107.3 125.12 50.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.978 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' HG12 ' A' ' 62' ' ' ILE . 76.8 m-85 -108.29 143.0 37.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HB3' HD11 ' A' ' 63' ' ' LEU . 11.1 pttp -43.91 -34.01 1.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -143.2 -175.41 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 13.8 pt-20 -83.37 41.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -101.11 -31.33 11.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.473 ' HA ' ' CG ' ' A' ' 54' ' ' TYR . 41.2 mt-10 54.5 51.06 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -115.32 -61.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -105.56 115.95 31.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.5 HG12 ' CE2' ' A' ' 54' ' ' TYR . 32.7 mt -78.94 121.89 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 55' ' ' LYS . 38.6 mt -81.6 -39.4 24.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' HA3' ' CE1' ' A' ' 53' ' ' TYR . . . -155.4 139.44 6.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 66' ' ' ILE . 15.6 m -121.95 143.54 49.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 65' ' ' SER . 19.8 mt -140.11 120.4 9.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 96.81 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' A' ' 51' ' ' LEU . 84.5 mt -67.8 -31.41 71.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 tp -50.89 -16.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.576 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 4.5 m -117.29 37.86 3.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -142.13 174.71 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -133.07 90.77 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.705 HG21 ' HB3' ' A' ' 115' ' ' MET . 13.4 t -68.42 139.35 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.07 139.02 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.08 141.68 49.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.925 HG22 ' O ' ' A' ' 87' ' ' THR . 6.1 m -57.41 -176.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.45 ' CD ' ' HD2' ' A' ' 78' ' ' PRO . 2.1 mm100 -110.62 161.99 22.45 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.45 ' HD2' ' CD ' ' A' ' 77' ' ' GLN . 53.7 Cg_endo -69.77 -4.84 14.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.1 t -133.11 31.96 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -89.94 167.95 12.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -84.83 52.99 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.4 mm -133.61 103.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 t -45.12 -46.61 11.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.7 mtt85 -61.97 175.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -113.0 -62.14 1.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 10.1 m-70 -74.3 71.91 1.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.925 ' O ' HG22 ' A' ' 76' ' ' VAL . 16.7 m -128.53 146.75 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 3.8 p90 -138.03 139.23 39.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -122.58 145.81 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 97' ' ' THR . . . -104.18 128.23 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -119.0 131.54 56.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 70' ' ' SER . 10.9 t-160 -100.58 -15.41 17.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 59.3 41.06 20.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -164.54 -33.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.466 HG12 ' HD2' ' A' ' 96' ' ' ARG . 6.8 t -117.72 -65.47 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.466 ' HD2' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -168.37 -179.9 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 90' ' ' ALA . 43.4 m -126.58 112.99 16.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 15.2 m-85 -85.23 153.0 22.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 18.7 m-85 -121.0 145.51 47.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 39.2 m-85 -147.43 118.61 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -91.92 165.63 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.799 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -139.58 131.95 28.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -50.2 -52.9 31.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 m -116.59 159.33 40.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.695 0.759 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.7 Cg_endo -69.76 -26.49 27.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.59 -34.31 77.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -77.44 -39.85 45.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -56.42 -53.06 61.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.5 pt-20 -62.04 -48.63 79.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.493 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.28 -45.08 80.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.565 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 33.1 m95 -59.72 -44.65 93.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.25 -43.54 90.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -50.75 -44.22 58.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.65 -57.04 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.705 ' HB3' HG21 ' A' ' 73' ' ' VAL . 7.1 mtt -56.69 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -37.94 -53.69 1.99 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -65.13 -53.73 40.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 49' ' ' ARG . . . -59.76 -13.46 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.6 -38.35 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.813 0.339 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HD2' ' CD2' ' A' ' 52' ' ' PHE . 21.1 ttt-85 -116.97 145.23 43.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -108.74 142.7 26.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.941 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -38.18 8.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.58 -39.86 92.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.82 133.7 28.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.692 . . . . 0.0 111.089 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 130.92 20.18 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.8 ' HA ' HG22 ' A' ' 47' ' ' VAL . 99.2 t -66.93 116.27 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.538 ' CG2' HD23 ' A' ' 46' ' ' LEU . 24.9 m -64.84 -63.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.559 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 32.0 tttp -155.25 133.54 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.14 140.54 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.071 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.9 152.57 14.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.502 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 91.6 m95 -72.58 111.87 8.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -118.48 172.82 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -115.35 114.7 25.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -99.12 108.66 21.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 39' ' ' TRP . 3.7 tt0 -56.99 130.42 45.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.806 0.336 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.463 ' CE2' ' HG3' ' A' ' 31' ' ' GLN . 63.1 m95 -101.36 133.93 45.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -108.64 107.08 17.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 53.3 tttt -72.31 119.93 17.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.0 mmt-85 -140.87 159.38 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 38.6 t-105 -74.27 116.89 15.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.831 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.0 m-85 -101.68 137.99 39.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.3 t -139.46 129.11 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.538 HD23 ' CG2' ' A' ' 23' ' ' THR . 18.9 tp -103.72 114.06 28.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.8 HG22 ' HA ' ' A' ' 22' ' ' VAL . 20.5 t -140.94 132.42 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t70 63.17 53.2 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 46.83 29.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.497 ' O ' HD12 ' A' ' 46' ' ' LEU . 4.6 t -136.03 152.85 51.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.831 HD21 ' CD2' ' A' ' 44' ' ' PHE . 1.9 tt -99.34 137.81 37.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.564 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 38.1 m-85 -138.93 119.21 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.452 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 19.8 p90 -107.14 124.33 49.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 79.0 m-85 -104.29 160.9 14.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HB3' HD11 ' A' ' 63' ' ' LEU . 21.7 pttt -58.2 -38.86 77.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -150.36 178.62 8.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -61.19 -14.17 23.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -65.18 -29.59 70.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.552 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 27.8 mt-10 52.49 46.6 26.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.04 -53.94 48.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -150.41 137.59 19.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.418 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 73.4 mt -64.94 116.14 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 55' ' ' LYS . 78.2 mt -72.99 -39.64 65.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.47 142.74 8.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -114.72 151.81 33.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -145.62 117.0 5.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 123.29 9.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.642 HD11 HD12 ' A' ' 51' ' ' LEU . 64.6 mt -96.12 -23.79 16.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 69' ' ' LEU . 8.2 tp -53.73 -14.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -104.17 -26.14 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.544 ' CG ' ' HB2' ' A' ' 92' ' ' HIS . 17.9 m-85 -86.27 168.45 13.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.42 ' HE ' ' CG ' ' A' ' 91' ' ' GLU . 13.0 ptt180 -130.24 70.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.663 HG21 ' HB3' ' A' ' 115' ' ' MET . 95.3 t -36.56 149.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.02 127.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.03 146.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 87' ' ' THR . 9.9 m -57.87 167.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -102.0 157.9 32.81 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.68 3.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 m -127.3 25.2 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -97.88 161.27 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -86.26 38.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.406 ' O ' HG22 ' A' ' 82' ' ' ILE . 37.9 mm -112.28 84.84 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 t -49.82 -44.61 49.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -50.86 154.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.437 ' HD3' ' NE2' ' A' ' 86' ' ' HIS . 3.7 ptpt -103.91 163.74 12.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.437 ' NE2' ' HD3' ' A' ' 85' ' ' LYS . 3.9 m-70 52.57 50.93 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.823 ' O ' HG22 ' A' ' 76' ' ' VAL . 51.6 m -115.07 148.92 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -139.63 138.88 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -119.02 146.96 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -109.89 120.61 43.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.42 ' CG ' ' HE ' ' A' ' 72' ' ' ARG . 3.0 pt-20 -107.47 138.26 44.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.544 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 6.6 t-160 -134.55 78.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -33.4 93.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 152.62 -31.61 0.84 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.28 -75.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.109 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -171.83 -174.98 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.9 m -122.08 107.85 12.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -79.93 154.81 28.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 24.7 m-85 -124.06 145.42 49.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -147.74 117.9 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 t -96.88 162.77 13.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 108' ' ' GLN . . . -136.14 133.37 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.83 -50.2 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 m -118.7 158.27 47.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.405 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.6 Cg_endo -69.74 -17.72 37.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -71.57 -35.91 70.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.81 -47.12 22.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 17.9 tt0 -51.26 -63.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.6 pt-20 -53.45 -49.66 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.514 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -57.31 -36.26 70.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.559 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 31.0 m95 -67.5 -48.15 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.0 mt -55.8 -38.84 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -53.09 -46.74 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.98 -55.01 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.663 ' HB3' HG21 ' A' ' 73' ' ' VAL . 4.2 mtt -58.41 -62.5 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -39.74 -50.69 3.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.28 -56.9 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.4 -24.72 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -83.07 -41.45 18.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.746 0.308 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.723 ' NE ' HG21 ' A' ' 47' ' ' VAL . 10.7 ttt180 -101.84 116.16 32.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -67.18 141.89 96.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.651 0.739 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.54 5.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -60.51 -40.77 92.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.17 129.02 40.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.543 0.687 . . . . 0.0 111.148 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.16 20.67 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.722 2.282 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.803 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.6 p -69.15 114.07 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 m -59.86 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.571 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 9.1 tttm -146.24 145.24 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.789 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -133.75 138.55 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.75 141.98 5.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.552 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 62.5 m95 -71.45 107.73 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 111' ' ' TRP . 46.0 mt -113.93 178.63 4.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 41' ' ' LYS . 19.6 m-85 -120.29 136.73 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -113.8 121.6 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.68 139.2 56.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HG2' ' HB2' ' A' ' 32' ' ' ALA . 15.1 pt20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.664 ' CD1' ' CZ ' ' A' ' 84' ' ' ARG . 88.8 m95 -143.61 105.01 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -95.17 106.26 18.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 35.6 tttt -59.76 123.76 17.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -145.06 154.12 42.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.789 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 49.0 t-105 -72.77 121.13 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.458 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -103.83 146.05 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -147.74 128.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 50' ' ' CYS . 25.1 tp -103.31 113.18 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.803 HG22 ' HA ' ' A' ' 22' ' ' VAL . 36.9 t -141.36 133.69 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 57.61 54.96 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 45.7 27.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.41 ' O ' HD12 ' A' ' 46' ' ' LEU . 52.8 m -132.83 149.02 52.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.722 HD12 HD11 ' A' ' 68' ' ' LEU . 3.8 tt -101.4 129.24 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CD2' ' HB2' ' A' ' 16' ' ' ARG . 30.1 m-85 -130.93 119.56 22.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 40.2 p90 -106.66 125.76 51.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.484 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 96.5 m-85 -110.72 147.08 35.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.702 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -54.36 -29.21 47.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 4.0 p30 -146.53 167.26 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.23 -13.05 46.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -59.02 -36.85 75.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 60.88 51.83 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.81 -49.9 13.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -145.87 137.91 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.484 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 61.2 mt -72.19 118.77 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 55' ' ' LYS . 65.3 mt -72.9 -44.13 61.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.5 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -155.03 124.96 1.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.2 p -99.24 140.04 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.7 mt -138.51 118.09 9.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.647 0.737 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 126.01 12.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.722 HD11 HD12 ' A' ' 51' ' ' LEU . 80.2 mt -101.41 -23.43 14.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.974 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.409 ' O ' HD12 ' A' ' 69' ' ' LEU . 5.2 tp -57.06 -12.19 1.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 19.9 m -119.88 34.06 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -137.85 175.11 9.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 91' ' ' GLU . 60.1 ttm-85 -134.91 84.97 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.808 HG21 ' HB3' ' A' ' 115' ' ' MET . 46.8 t -56.51 143.68 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.29 135.43 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.28 137.5 57.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 87' ' ' THR . 5.9 m -46.54 153.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -87.1 157.9 53.39 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 2.14 3.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.2 p -109.22 -16.88 13.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -53.45 169.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -113.64 33.66 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mm -88.92 103.65 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.6 m -40.73 -39.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.664 ' CZ ' ' CD1' ' A' ' 39' ' ' TRP . 27.5 mtt85 -62.82 178.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -119.17 -64.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.6 m-70 -77.19 81.08 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.493 ' O ' ' NE2' ' A' ' 108' ' ' GLN . 52.1 m -130.79 157.56 42.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 4.1 p90 -144.84 131.21 19.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 16.9 pttt -112.8 137.04 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -104.99 122.21 45.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' ARG . 3.0 pt-20 -118.72 151.3 38.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 70' ' ' SER . 13.7 t-80 -120.98 1.48 10.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 45.35 47.42 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.2 -30.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.433 HG23 ' ND1' ' A' ' 92' ' ' HIS . 25.1 t -108.88 -70.3 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.527 ' CG ' ' N ' ' A' ' 97' ' ' THR . 15.3 ttm180 -172.44 165.2 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.527 ' N ' ' CG ' ' A' ' 96' ' ' ARG . 28.3 m -116.17 106.31 13.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -86.94 163.86 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 34.2 m-85 -127.59 153.39 46.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 78.2 m-85 -155.46 122.63 5.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 t -98.51 159.68 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 108' ' ' GLN . . . -133.54 121.04 21.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -39.88 -50.43 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -115.91 157.08 45.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.659 0.742 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.79 -19.87 35.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.367 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -75.04 -33.29 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.49 -48.75 38.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 15.7 tt0 -51.79 -58.39 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.522 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.2 pt-20 -55.87 -49.86 72.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.522 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.0 -43.88 73.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 39.4 m95 -61.18 -58.23 9.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 116' ' ' GLY . 85.4 mt -41.54 -38.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -56.09 -44.89 79.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.0 -47.02 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.808 ' HB3' HG21 ' A' ' 73' ' ' VAL . 8.9 mtt -68.9 -63.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -42.93 -44.57 5.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -73.24 -61.89 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.14 -29.86 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 120' ' ' ARG . . . -66.25 -45.17 81.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' ALA . 17.9 mtp85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.777 0.322 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.788 ' HE ' HG21 ' A' ' 47' ' ' VAL . 37.6 ttt-85 -89.67 140.39 29.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.41 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 88.6 m-20 -79.34 151.05 74.76 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.719 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -39.69 6.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -97.55 41.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -109.15 122.99 38.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.56 0.695 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 131.3 20.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.887 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.5 p -67.88 114.57 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -64.37 -56.33 15.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 40.4 tttp -155.25 132.33 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.922 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -124.11 143.77 50.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.09 140.65 3.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.454 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 72.3 m95 -71.18 112.4 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 mt -117.96 173.94 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -109.6 127.54 54.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -103.29 109.12 20.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.495 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 7.2 tt0 -55.06 140.0 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.813 0.339 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.495 ' CZ2' ' HG3' ' A' ' 31' ' ' GLN . 80.9 m95 -117.77 126.48 52.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -99.79 115.88 30.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -81.03 117.25 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -138.75 162.25 35.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.922 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 47.5 t-105 -75.32 115.82 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.4 m-85 -102.1 134.15 45.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.412 ' CG2' ' NE1' ' A' ' 43' ' ' TRP . 37.9 t -138.57 131.04 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 50' ' ' CYS . 24.7 tp -103.37 113.33 26.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.887 HG22 ' HA ' ' A' ' 22' ' ' VAL . 76.4 t -140.4 135.86 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 60.2 53.32 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.516 ' HG3' ' HB1' ' A' ' 118' ' ' ALA . 23.9 ttp180 45.35 31.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.588 ' O ' HD12 ' A' ' 46' ' ' LEU . 11.5 m -138.4 155.19 48.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.7 tt -100.68 131.3 46.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.409 ' N ' HD23 ' A' ' 51' ' ' LEU . 24.8 m-85 -131.43 119.39 21.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 42.2 p90 -105.98 123.08 47.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -109.77 164.47 12.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -63.37 -35.2 79.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -153.95 -177.68 6.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.47 -17.42 63.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -58.58 -38.54 78.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 57.01 49.68 13.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -65.89 -44.89 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 m -155.16 146.25 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 16' ' ' ARG . 61.4 mt -73.08 115.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 18.4 mt -72.5 -35.59 68.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.407 ' HA3' ' CE1' ' A' ' 53' ' ' TYR . . . -166.21 129.99 2.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.438 ' C ' HG13 ' A' ' 66' ' ' ILE . 77.3 p -103.57 150.37 24.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.833 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.438 HG13 ' C ' ' A' ' 65' ' ' SER . 68.1 mt -147.46 115.36 4.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.12 4.9 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 51' ' ' LEU . 33.7 mt -86.27 -27.71 24.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 tp -50.52 -16.93 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.429 ' HB2' ' NE2' ' A' ' 92' ' ' HIS . 15.5 p -104.7 -23.5 13.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.961 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 18.0 m-85 -87.58 163.44 16.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.449 ' NH1' ' OE2' ' A' ' 91' ' ' GLU . 3.1 ptm180 -128.39 70.82 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' A' ' 115' ' ' MET . 51.3 t -40.02 145.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.99 130.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.73 167.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 87' ' ' THR . 0.1 OUTLIER -88.36 -175.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -125.28 154.87 72.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.41 5.65 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.4 m -106.18 -2.58 22.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.79 165.64 14.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -88.18 48.47 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.552 HG13 HG11 ' A' ' 76' ' ' VAL . 30.8 mm -94.57 129.49 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.3 m -80.3 -37.7 32.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -84.17 153.69 23.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -81.28 -63.72 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 4.4 m-70 -78.94 84.81 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.604 ' O ' HG22 ' A' ' 76' ' ' VAL . 23.8 m -130.17 159.2 37.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.491 ' N ' HG22 ' A' ' 87' ' ' THR . 2.7 p90 -153.32 132.82 12.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.34 146.41 43.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.538 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -110.91 139.39 46.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.449 ' OE2' ' NH1' ' A' ' 72' ' ' ARG . 8.8 pm0 -131.76 156.89 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.594 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 23.6 t-160 -116.92 -0.26 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.806 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 54.6 49.18 18.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.65 -41.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 68.5 t -91.93 -74.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.57 ' HD2' ' CE2' ' A' ' 98' ' ' TYR . 17.8 ptp180 -165.64 -177.51 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.2 m -130.16 109.19 10.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.57 ' CE2' ' HD2' ' A' ' 96' ' ' ARG . 26.5 m-85 -85.17 153.94 22.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.562 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 34.1 m-85 -120.47 150.31 41.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 36.9 m-85 -154.2 116.42 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.1 t -104.17 157.73 16.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.44 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.45 -42.44 83.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.1 m -118.77 152.92 52.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.72 0.771 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.76 -21.35 33.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -72.4 -16.92 61.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -92.39 -50.71 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -50.54 -54.09 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.1 pt-20 -58.99 -50.16 75.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.521 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -58.21 -35.1 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.534 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.5 m95 -70.87 -42.16 70.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 116' ' ' GLY . 92.3 mt -61.4 -40.37 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -53.46 -46.72 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.21 -52.74 8.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.815 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.9 mtt -63.29 -61.48 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -45.16 -50.23 9.54 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -67.28 -52.46 40.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.516 ' HB1' ' HG3' ' A' ' 49' ' ' ARG . . . -56.75 -23.71 44.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.961 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -80.6 -32.93 36.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.568 ' HD2' ' CD2' ' A' ' 52' ' ' PHE . 34.2 ttt-85 -109.73 145.14 37.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -104.7 141.57 22.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -41.77 3.95 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -58.68 -40.37 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.39 130.85 18.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 134.2 27.36 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.653 2.236 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.773 ' HA ' HG22 ' A' ' 47' ' ' VAL . 88.9 t -68.91 115.86 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.475 ' CG2' HD23 ' A' ' 46' ' ' LEU . 3.9 m -66.76 -60.44 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.564 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 48.2 tttp -147.19 145.86 29.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -140.18 127.84 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.14 148.07 10.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 71.7 m95 -72.2 113.4 9.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 mt -116.2 171.93 7.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -117.12 121.64 41.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -107.75 114.28 28.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.24 148.56 18.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.815 0.341 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.451 ' CD1' ' NH1' ' A' ' 84' ' ' ARG . 82.7 m95 -58.78 116.27 3.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -95.04 117.04 29.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -78.11 114.21 16.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -134.45 160.01 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 42.3 t-105 -77.92 116.31 18.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.7 m-85 -100.55 147.32 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.3 t -148.28 138.13 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.475 HD23 ' CG2' ' A' ' 23' ' ' THR . 24.5 tp -110.98 113.25 25.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.773 HG22 ' HA ' ' A' ' 22' ' ' VAL . 15.2 t -142.31 136.56 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 57.45 53.63 7.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.693 ' HG3' ' HB1' ' A' ' 118' ' ' ALA . 11.9 ttm180 45.73 27.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 69.5 m -134.15 149.55 51.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.653 HD12 HD11 ' A' ' 68' ' ' LEU . 3.8 tt -98.61 137.17 37.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 45.2 m-85 -137.98 119.77 15.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 37.8 p90 -104.69 121.75 44.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 79.7 m-85 -103.72 163.65 12.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -61.25 -32.24 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -162.11 -176.13 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.2 -30.43 68.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -47.38 -34.24 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.499 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 33.5 mt-10 53.8 46.23 26.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -60.34 -60.09 4.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 t -148.52 141.72 25.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.501 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 96.4 mt -66.64 126.53 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 59.2 mt -82.5 -38.61 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.01 139.66 6.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.435 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 p -114.28 141.56 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 31.9 mt -139.7 122.25 10.2 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 124.6 11.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.653 HD11 HD12 ' A' ' 51' ' ' LEU . 28.4 mt -94.78 -25.56 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.757 HD23 ' N ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -58.93 -9.9 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.757 ' N ' HD23 ' A' ' 69' ' ' LEU . 1.8 t -117.78 25.79 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.475 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 29.9 m-85 -137.64 159.03 43.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -116.0 76.04 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.2 t -49.12 146.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.27 156.56 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.26 163.59 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 82' ' ' ILE . 1.8 m -78.12 167.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -113.88 159.5 35.71 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.557 0.694 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -4.25 13.7 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.4 p -104.9 -16.21 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.0 164.62 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -83.89 47.37 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.523 HG13 HG11 ' A' ' 76' ' ' VAL . 48.6 mm -121.64 111.38 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.7 m -70.66 -40.74 72.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.451 ' NH1' ' CD1' ' A' ' 39' ' ' TRP . 29.0 mtt85 -50.05 178.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -116.5 -68.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.414 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.8 m-70 -75.76 72.3 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.474 ' HB ' HG21 ' A' ' 76' ' ' VAL . 34.6 m -126.39 157.86 37.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.474 ' N ' HG22 ' A' ' 87' ' ' THR . 2.5 p90 -150.93 131.94 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.71 146.59 43.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 97' ' ' THR . . . -107.13 148.4 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 92' ' ' HIS . 2.5 tt0 -142.61 150.45 40.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.549 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 3.4 t-80 -116.13 -22.46 8.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 74.77 49.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.84 -26.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.465 HG23 ' ND1' ' A' ' 92' ' ' HIS . 52.6 t -113.15 -66.64 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 111.127 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.501 ' NH1' ' CE1' ' A' ' 98' ' ' TYR . 7.8 ptm180 -174.3 179.66 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 90' ' ' ALA . 82.2 m -126.49 106.88 9.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.501 ' CE1' ' NH1' ' A' ' 96' ' ' ARG . 53.2 m-85 -78.94 154.68 29.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.586 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 36.5 m-85 -122.78 151.7 41.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 36.4 m-85 -152.65 119.28 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.9 t -104.85 141.99 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 108' ' ' GLN . . . -116.77 133.95 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -52.06 -54.2 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.0 m -110.51 157.48 38.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.79 -18.4 36.88 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -72.26 -37.74 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.35 -38.26 56.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 15.8 tt0 -59.97 -57.28 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.6 pt-20 -57.31 -47.75 80.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.97 -52.14 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.564 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 25.7 m95 -51.22 -44.03 61.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 116' ' ' GLY . 78.9 mt -62.3 -38.01 80.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -56.53 -47.87 78.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.98 -51.58 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 6.7 mtt -64.03 -61.82 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -39.59 -51.02 3.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.74 -61.12 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.693 ' HB1' ' HG3' ' A' ' 49' ' ' ARG . . . -50.73 -25.75 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -78.67 -46.4 19.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.826 0.346 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.886 ' HB3' HD11 ' A' ' 62' ' ' ILE . 13.5 ttt180 -124.33 145.56 49.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.448 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 43.7 m-80 -95.33 142.16 24.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -40.35 5.39 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -59.82 -41.8 92.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.37 126.07 15.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.521 0.677 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 131.28 20.94 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.685 2.256 . . . . 0.0 112.304 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.853 ' HA ' HG22 ' A' ' 47' ' ' VAL . 85.9 t -66.27 117.67 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.0 m -64.85 -58.3 6.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -148.89 134.47 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -127.16 149.6 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.4 142.08 3.56 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 60.5 m95 -70.68 105.87 3.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' A' ' 111' ' ' TRP . 47.0 mt -105.81 175.02 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 1.9 m-85 -125.46 108.28 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HG3' ' CE1' ' A' ' 100' ' ' PHE . 21.7 ttpp -93.49 114.3 26.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -44.86 141.62 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -61.9 146.87 48.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -124.49 110.33 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 3.7 ttpm? -73.29 124.27 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -139.85 157.85 45.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.628 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 43.8 t-105 -72.09 112.5 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.749 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.33 137.68 38.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.408 HG13 HG13 ' A' ' 22' ' ' VAL . 53.8 t -139.64 131.08 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 50' ' ' CYS . 44.4 tp -103.24 113.18 26.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.853 HG22 ' HA ' ' A' ' 22' ' ' VAL . 54.3 t -140.41 135.46 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t70 56.51 53.93 8.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 45.5 34.05 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.544 ' O ' HD12 ' A' ' 46' ' ' LEU . 35.9 t -138.93 150.14 45.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.749 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.6 tt -99.15 128.06 45.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' A' ' 50' ' ' CYS . 28.9 m-85 -131.02 119.34 21.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.65 ' CE1' HD12 ' A' ' 63' ' ' LEU . 6.6 p90 -105.69 127.27 52.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.478 ' CD2' ' HA ' ' A' ' 59' ' ' GLU . 75.9 m-85 -113.7 140.49 48.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.716 ' N ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -40.25 -40.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.441 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 2.2 t70 -145.15 -176.7 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -65.97 -20.7 66.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -55.78 -42.72 75.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 33.6 mt-10 62.34 49.29 4.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -60.01 -58.55 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -147.8 125.95 12.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.886 HD11 ' HB3' ' A' ' 16' ' ' ARG . 34.4 mt -47.94 111.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.716 HD11 ' N ' ' A' ' 55' ' ' LYS . 15.3 mt -66.27 -49.56 66.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.85 115.8 0.69 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.487 ' OG ' HG21 ' A' ' 62' ' ' ILE . 14.6 m -86.87 138.42 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 110.873 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.7 mt -130.17 112.96 17.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.652 0.739 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 121.01 7.71 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.357 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.722 HD11 HD12 ' A' ' 51' ' ' LEU . 30.9 mt -94.01 -26.7 16.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.69 -16.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 32.0 p -119.53 42.79 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.51 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 23.4 m-85 -146.52 169.78 18.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -128.64 81.23 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 115' ' ' MET . 45.9 t -56.54 146.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.76 133.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.31 164.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.449 HG21 ' HB ' ' A' ' 87' ' ' THR . 3.8 m -86.16 164.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -114.0 158.86 38.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.54 4.33 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.393 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.0 t -114.65 -4.85 12.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.91 18.29 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.0 m120 52.12 33.48 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.6 mm -97.86 94.26 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.9 p -50.15 -39.26 42.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -63.33 -178.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -127.04 -60.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.9 m-70 -77.92 69.6 4.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 88' ' ' PHE . 98.3 m -131.63 156.56 45.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -137.09 131.56 32.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -105.32 132.14 51.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 97' ' ' THR . . . -111.49 137.31 49.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 pm0 -137.07 153.51 50.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 70' ' ' SER . 7.6 t-80 -116.57 2.09 12.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 48.5 31.72 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.72 -43.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.52 HG23 ' ND1' ' A' ' 92' ' ' HIS . 89.1 t -99.93 -64.0 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.808 0.337 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.496 ' HD3' ' CZ ' ' A' ' 98' ' ' TYR . 9.6 ptm180 -174.13 -175.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 90' ' ' ALA . 95.8 m -127.14 114.92 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.496 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 61.6 m-85 -89.98 172.04 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 33.9 m-85 -142.04 147.56 37.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 9.2 m-85 -150.94 124.07 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -102.82 159.75 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.13 124.03 39.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -49.74 -25.82 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 p -134.74 156.13 78.86 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.649 0.738 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.76 -35.29 12.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.648 2.232 . . . . 0.0 112.379 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -61.01 -38.04 84.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -69.38 -46.27 67.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.06 -62.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.7 pt-20 -52.27 -50.5 62.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.521 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.34 -42.35 73.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.409 ' CE2' HD11 ' A' ' 28' ' ' LEU . 35.1 m95 -61.21 -57.96 10.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 116' ' ' GLY . 85.6 mt -44.88 -41.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.56 -49.46 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.21 -51.51 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.501 ' HB3' HG21 ' A' ' 73' ' ' VAL . 9.5 mtt -63.56 -62.27 1.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.17 -46.3 8.1 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -70.86 -55.27 8.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.95 -31.63 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -67.5 -47.78 69.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.2 mttp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.774 0.321 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.665 ' HE ' HG21 ' A' ' 47' ' ' VAL . 46.9 ttt-85 -106.6 137.06 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 55.5 m-20 -76.08 154.33 84.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -33.51 16.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -106.85 38.81 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -99.24 124.32 45.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 111.073 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 140.59 43.28 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.839 ' HA ' HG22 ' A' ' 47' ' ' VAL . 76.6 t -78.72 108.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' LEU . 4.2 m -58.14 -57.13 14.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 41.0 tttp -156.42 132.13 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.516 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -121.61 149.95 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.22 141.62 3.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 76.1 m95 -71.75 123.84 23.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.5 mt -129.61 178.42 6.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -119.29 118.44 31.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -98.72 105.27 17.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -51.59 139.68 20.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.79 0.328 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -117.59 136.44 53.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -119.41 112.15 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -77.93 120.4 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -138.06 161.21 37.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.578 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 31.8 t-105 -75.35 115.22 14.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.54 135.3 42.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.1 t -138.14 130.47 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 50' ' ' CYS . 27.0 tp -103.34 113.47 26.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.839 HG22 ' HA ' ' A' ' 22' ' ' VAL . 55.1 t -140.03 136.87 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 57.7 54.39 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 46.09 26.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.584 ' O ' HD12 ' A' ' 46' ' ' LEU . 4.5 t -132.29 156.21 46.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.697 HD12 HD11 ' A' ' 68' ' ' LEU . 1.9 tt -102.54 136.1 42.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 50' ' ' CYS . 18.7 m-85 -137.24 121.46 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.442 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 50.7 p90 -109.26 123.55 49.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.517 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 75.9 m-85 -108.54 154.34 22.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -56.92 -29.21 62.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.449 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 6.3 p30 -150.31 -175.14 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -83.0 38.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -102.66 -25.73 13.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 54.4 mt-10 45.15 53.2 8.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -99.34 -54.8 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -127.36 115.01 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.517 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 87.3 mt -65.01 116.34 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.419 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 18.2 mt -69.24 -37.49 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -167.2 126.01 1.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 p -102.7 128.94 49.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.4 mt -117.53 115.75 37.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.466 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 54.4 Cg_endo -69.72 119.01 6.03 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.697 HD11 HD12 ' A' ' 51' ' ' LEU . 23.4 mt -94.41 -25.06 17.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 69' ' ' LEU . 9.6 tp -52.23 -15.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.574 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 15.8 p -125.19 40.73 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 67' ' ' PRO . 17.0 m-85 -140.66 -179.26 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -134.99 102.02 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.463 HG21 ' HB3' ' A' ' 115' ' ' MET . 16.3 t -87.8 137.18 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.02 143.99 3.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.03 158.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 87' ' ' THR . 1.9 m -72.52 174.49 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -114.88 156.56 44.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.4 16.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.2 p -105.5 -7.53 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.16 165.0 25.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 81' ' ' ASN . 2.0 p-10 -90.63 55.25 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.1 mm -126.87 98.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 p -78.43 1.24 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -97.62 129.37 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -80.05 152.62 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 69.14 55.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.539 ' O ' HG22 ' A' ' 76' ' ' VAL . 55.8 m -123.03 155.41 36.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 6.8 p90 -148.07 138.68 22.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.4 OUTLIER -116.15 146.8 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -123.09 122.13 37.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.703 ' HB3' HG23 ' A' ' 97' ' ' THR . 2.9 pm0 -140.82 136.83 32.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.58 ' HB3' HG22 ' A' ' 95' ' ' VAL . 22.6 t-80 -83.49 -6.49 59.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 69.66 54.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.59 -20.08 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.643 HG23 ' N ' ' A' ' 96' ' ' ARG . 21.4 m -111.86 -56.39 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 111.138 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.643 ' N ' HG23 ' A' ' 95' ' ' VAL . 7.7 ptm180 -176.87 -179.89 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.703 HG23 ' HB3' ' A' ' 91' ' ' GLU . 63.5 m -134.81 104.39 5.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.433 ' CE2' ' HD3' ' A' ' 96' ' ' ARG . 51.8 m-85 -82.49 160.63 22.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 55.1 m-85 -134.46 147.56 50.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 16.6 m-85 -150.38 122.04 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.8 t -104.84 156.24 18.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -127.53 144.22 51.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.94 -36.87 85.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.1 p -124.06 153.26 67.87 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.686 0.755 . . . . 0.0 110.8 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -25.26 28.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.278 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.55 -17.31 62.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -90.9 -46.95 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -53.36 -57.99 8.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.3 pt-20 -56.82 -49.09 76.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.509 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.55 -43.8 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.519 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 36.9 m95 -60.29 -52.92 63.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 67.0 mt -49.8 -44.46 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -49.25 -42.85 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.35 -54.79 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.463 ' HB3' HG21 ' A' ' 73' ' ' VAL . 5.5 mtt -58.7 -61.95 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -42.65 -48.86 5.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -67.16 -54.61 19.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.24 -15.3 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.68 -41.76 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 29.7 mtp85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.87 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 pttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.736 0.303 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 27.6 ttt-85 -128.2 141.67 51.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -97.77 141.93 23.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.37 7.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -59.96 -41.74 92.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.29 129.23 17.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 130.85 20.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.843 ' HA ' HG22 ' A' ' 47' ' ' VAL . 86.4 t -66.31 117.35 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.9 m -64.23 -52.13 60.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -156.79 139.54 15.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.692 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -132.0 140.65 49.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.07 143.6 6.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.547 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 84.3 m95 -72.75 107.5 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.7 mt -112.33 176.03 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -117.1 114.66 24.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -90.97 126.66 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.419 ' NE2' HD11 ' A' ' 82' ' ' ILE . 3.1 tt0 -74.22 138.3 43.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.065 179.906 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 27.3 pt20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.811 0.339 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -115.1 138.48 50.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -120.31 95.54 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.408 ' C ' ' HG2' ' A' ' 42' ' ' ARG . 77.4 tttt -54.98 123.75 14.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 41' ' ' LYS . 11.8 mmt180 -145.27 156.35 43.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.692 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 61.1 t-105 -73.69 115.19 12.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.672 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.4 m-85 -100.53 139.93 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.7 t -140.48 131.23 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.087 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.9 tp -103.54 113.78 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.843 HG22 ' HA ' ' A' ' 22' ' ' VAL . 46.7 t -141.07 135.55 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 t70 55.53 54.83 7.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 19.1 mtm105 45.7 27.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 5.3 t -131.82 149.1 52.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.672 HD21 ' CD2' ' A' ' 44' ' ' PHE . 2.7 tt -98.17 132.44 43.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 40.4 m-85 -135.15 119.22 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 31.3 p90 -108.25 127.71 54.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.538 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 63.4 m-85 -115.5 142.84 46.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HE3' ' CE ' ' A' ' 58' ' ' LYS . 9.6 pttp -44.47 -32.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -148.13 -178.85 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -79.76 44.1 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.481 ' CE ' ' HE3' ' A' ' 55' ' ' LYS . 2.3 ptmm? -103.31 -33.8 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.538 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 36.2 mt-10 53.91 45.4 27.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -101.22 -57.78 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.0 p -115.25 123.5 48.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 16' ' ' ARG . 73.9 mt -79.05 116.71 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.585 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 56.6 mt -77.95 -45.89 22.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.453 ' HA3' ' CE2' ' A' ' 53' ' ' TYR . . . -152.88 136.24 5.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.438 ' C ' HG13 ' A' ' 66' ' ' ILE . 11.7 t -120.71 146.83 46.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 110.858 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.569 ' CD1' ' CZ ' ' A' ' 98' ' ' TYR . 36.6 mt -143.71 123.38 7.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.191 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 121.43 8.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.559 HD11 HD12 ' A' ' 51' ' ' LEU . 31.0 mt -92.94 -26.16 17.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -53.89 -14.94 1.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 89.3 p -123.07 42.89 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.597 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 25.5 m-85 -147.29 155.25 41.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -112.76 80.41 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.82 135.27 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.58 137.83 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.53 143.93 18.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 87' ' ' THR . 11.6 m -53.04 154.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -87.65 157.68 52.04 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.19 2.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 t -127.64 32.05 5.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -108.03 164.25 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -85.78 46.45 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.419 HD11 ' NE2' ' A' ' 31' ' ' GLN . 17.1 mm -124.4 86.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.9 p -54.43 -44.69 72.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -57.22 121.85 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -80.11 163.65 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.431 ' CD2' ' HD3' ' A' ' 105' ' ' PRO . 6.9 m-70 66.71 46.61 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 88' ' ' PHE . 72.6 m -118.06 157.04 27.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.483 ' N ' HG22 ' A' ' 87' ' ' THR . 5.2 p90 -148.36 131.3 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.588 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -114.34 146.69 40.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.708 ' O ' HG23 ' A' ' 97' ' ' THR . . . -105.8 152.85 22.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 92' ' ' HIS . 1.5 tt0 -147.47 143.61 28.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.591 ' ND1' HG23 ' A' ' 95' ' ' VAL . 4.4 t-80 -109.82 -20.92 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 73.57 41.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.074 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -177.08 -28.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.591 HG23 ' ND1' ' A' ' 92' ' ' HIS . 46.1 t -109.91 -65.6 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -174.64 -178.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 90' ' ' ALA . 60.4 m -127.72 105.46 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.569 ' CZ ' ' CD1' ' A' ' 66' ' ' ILE . 56.3 m-85 -78.87 156.44 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 20.1 m-85 -125.41 151.51 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 18.8 m-85 -155.91 116.25 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.9 t -95.64 161.28 14.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.08 127.29 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -46.73 -50.73 17.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 p -116.6 155.87 48.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.431 ' HD3' ' CD2' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.74 -21.24 33.86 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.688 2.258 . . . . 0.0 112.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.59 -31.54 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -81.4 -43.09 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -55.32 -51.16 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.8 pt-20 -62.71 -50.53 70.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.531 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.71 -49.32 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -56.13 -51.16 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 116' ' ' GLY . 89.6 mt -51.9 -39.54 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -53.71 -45.48 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.84 -55.98 4.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 4.0 mtt -58.64 -57.84 11.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -47.32 -51.67 14.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.535 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -63.93 -63.09 1.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.61 -29.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -66.33 -43.29 86.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 119' ' ' ALA . 15.0 ptt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.813 0.34 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 9.0 ttt-85 -130.7 90.83 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -50.3 141.3 16.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.619 0.723 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -41.8 3.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -59.5 -40.13 86.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.66 127.2 13.57 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.572 0.701 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 133.65 26.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.39 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.663 ' HA ' HG22 ' A' ' 47' ' ' VAL . 95.3 t -66.14 114.04 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.556 ' CG2' HD23 ' A' ' 46' ' ' LEU . 46.5 m -65.7 -57.96 6.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.563 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 42.5 tttp -160.31 133.6 6.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.73 147.27 52.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.93 152.6 10.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -72.0 107.02 4.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.84 0.352 . . . . 0.0 110.966 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.477 HD11 ' CE2' ' A' ' 111' ' ' TRP . 29.4 mt -116.2 178.92 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -122.58 131.2 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 31' ' ' GLN . 21.9 tttm -108.85 98.48 7.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' LYS . 5.0 tt0 -35.0 141.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.342 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -94.62 148.98 21.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -116.41 119.84 36.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -82.25 111.25 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -133.57 159.89 39.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -78.28 118.43 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.6 m-85 -102.79 141.06 36.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -143.0 129.0 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.556 HD23 ' CG2' ' A' ' 23' ' ' THR . 25.6 tp -103.59 113.23 26.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.663 HG22 ' HA ' ' A' ' 22' ' ' VAL . 4.1 t -144.66 136.02 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 59.86 54.74 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 44.22 27.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.476 ' O ' HD12 ' A' ' 46' ' ' LEU . 94.9 m -134.53 152.8 52.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.806 HD12 HD11 ' A' ' 68' ' ' LEU . 3.9 tt -103.6 132.58 49.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 32.1 m-85 -131.43 119.42 21.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 52.1 p90 -105.7 116.44 31.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.521 ' CE2' HG12 ' A' ' 62' ' ' ILE . 70.9 m-85 -102.72 132.3 48.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -37.02 -40.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.405 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 66.4 m-20 -144.22 -177.43 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 11.37 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -81.25 -19.67 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 48.89 47.34 21.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.15 -55.07 7.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.6 m -152.41 138.26 18.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.521 HG12 ' CE2' ' A' ' 54' ' ' TYR . 98.6 mt -70.28 117.54 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 7.2 mt -74.31 -37.75 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.0 143.89 8.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 m -116.4 137.64 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.6 mt -119.45 114.59 34.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 96.47 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.806 HD11 HD12 ' A' ' 51' ' ' LEU . 61.2 mt -76.11 -19.02 58.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.776 HD23 ' N ' ' A' ' 70' ' ' SER . 0.4 OUTLIER -59.63 -9.42 2.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.776 ' N ' HD23 ' A' ' 69' ' ' LEU . 4.5 p -129.57 38.71 3.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -140.26 161.82 36.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -121.33 87.9 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 115' ' ' MET . 4.3 t -65.52 143.31 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.73 132.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.95 156.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 87' ' ' THR . 0.2 OUTLIER -70.53 165.37 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -107.78 160.43 26.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.605 0.717 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -12.87 33.72 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.2 p -96.82 -10.49 26.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 4.5 t0 -65.33 164.72 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -96.19 35.23 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.542 HD11 ' CE2' ' A' ' 99' ' ' PHE . 8.2 mm -99.64 129.46 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.2 p -95.06 33.84 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -126.21 179.2 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.53 -73.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 2.3 m-70 -78.89 82.41 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 76' ' ' VAL . 54.6 m -131.47 155.78 46.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 2.2 p90 -145.76 131.01 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.57 132.24 56.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.67 114.84 29.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.857 ' HB3' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -124.61 149.68 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.503 ' ND1' HG23 ' A' ' 95' ' ' VAL . 18.7 t-80 -128.39 86.69 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -31.52 92.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 129.26 -0.58 6.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.463 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 96' ' ' ARG . 25.1 t -131.58 -77.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.531 ' CG ' ' N ' ' A' ' 97' ' ' THR . 12.7 ttm-85 -176.82 165.23 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.857 HG23 ' HB3' ' A' ' 91' ' ' GLU . 16.3 m -112.24 140.34 47.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 89' ' ' LYS . 30.4 m-85 -122.93 168.95 11.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 47.6 m-85 -141.45 149.34 40.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.45 ' HB2' ' CE2' ' A' ' 88' ' ' PHE . 41.7 m-85 -156.11 123.55 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 t -98.93 168.82 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.93 32.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -59.44 -44.77 92.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -118.89 153.12 52.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.3 Cg_endo -69.82 -21.86 32.61 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.62 2.213 . . . . 0.0 112.345 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.78 -30.4 64.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.77 -44.64 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -50.29 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.6 pt-20 -52.21 -48.7 64.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.5 -43.72 72.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.3 m95 -60.38 -43.1 96.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 116' ' ' GLY . 83.4 mt -62.53 -34.96 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.89 -41.03 90.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.99 -41.27 18.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.505 ' HB3' HG21 ' A' ' 73' ' ' VAL . 9.9 mtt -73.37 -62.51 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -43.4 -40.12 4.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -75.57 -63.15 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.14 -18.83 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' A' ' 68' ' ' LEU . . . -79.56 -34.49 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.86 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.767 0.318 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.647 ' CB ' HD11 ' A' ' 62' ' ' ILE . 13.3 tpt85 -102.99 118.54 37.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -99.27 137.1 20.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -35.93 11.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -63.18 -37.41 87.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 126.77 92.68 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 142.96 49.45 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.736 2.291 . . . . 0.0 112.307 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.675 ' HA ' HG22 ' A' ' 47' ' ' VAL . 9.4 p -74.18 116.56 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.505 ' CG2' HD23 ' A' ' 46' ' ' LEU . 28.0 m -67.42 -51.71 48.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.543 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 33.8 tttp -162.06 138.7 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -137.95 150.23 46.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.49 148.26 6.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 76.7 m95 -71.65 112.19 7.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.766 0.317 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 mt -116.78 178.29 4.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 45.0 m-85 -117.86 122.05 42.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -104.15 117.5 34.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.426 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 10.1 tt0 -63.53 140.04 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.924 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.322 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.426 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 78.2 m95 -86.07 125.52 33.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -101.46 110.18 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.485 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 32.3 tttp -74.08 125.2 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -145.28 165.83 27.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.527 ' CE3' ' CD1' ' A' ' 27' ' ' TRP . 58.3 t-105 -82.18 116.48 21.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.538 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.3 m-85 -101.23 139.01 37.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -140.02 129.4 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.505 HD23 ' CG2' ' A' ' 23' ' ' THR . 16.5 tp -104.43 114.64 29.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.675 HG22 ' HA ' ' A' ' 22' ' ' VAL . 4.4 t -143.45 132.33 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t70 60.88 53.7 3.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 45.11 37.56 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.4 m -142.78 149.9 39.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.655 HD12 HD11 ' A' ' 68' ' ' LEU . 2.2 tt -98.54 133.0 43.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -131.21 119.38 21.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.534 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 35.9 p90 -109.74 115.99 30.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.591 ' CE1' HG12 ' A' ' 62' ' ' ILE . 86.1 m-85 -104.09 168.87 8.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -65.33 -35.47 81.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -157.03 -177.92 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -64.03 -8.59 12.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -63.14 -44.81 94.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.22 46.03 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.08 -46.71 64.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 t -151.4 141.88 22.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.647 HD11 ' CB ' ' A' ' 16' ' ' ARG . 86.8 mt -70.97 118.06 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 46.5 mt -75.76 -32.66 60.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.534 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -174.48 130.9 1.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.2 m -109.32 136.11 49.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 31.9 mt -128.32 115.85 19.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 121.49 8.18 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.655 HD11 HD12 ' A' ' 51' ' ' LEU . 58.4 mt -93.73 -26.71 16.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 69' ' ' LEU . 7.7 tp -47.81 -18.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.467 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 3.9 p -121.02 40.99 3.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 19.0 m-85 -145.24 176.81 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.55 ' NH2' ' HB3' ' A' ' 93' ' ' ALA . 53.2 mtm180 -133.64 109.31 9.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.617 HG21 ' HB3' ' A' ' 115' ' ' MET . 26.0 t -91.21 147.83 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.63 158.64 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.82 147.1 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 87' ' ' THR . 0.2 OUTLIER -58.79 177.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -120.05 160.51 42.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -14.67 36.26 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.3 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.7 p -99.09 8.72 44.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.41 174.09 10.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -99.55 22.14 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.2 mm -97.63 133.67 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -97.51 -42.09 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.3 mtt-85 -58.88 129.68 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -79.37 164.43 24.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.403 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.9 m-70 59.06 53.17 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.675 ' O ' HG22 ' A' ' 76' ' ' VAL . 3.5 m -117.62 156.89 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.1 p90 -148.55 145.27 27.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -122.64 155.2 36.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.484 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -131.3 119.24 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.799 ' HB3' HG23 ' A' ' 97' ' ' THR . 3.1 pt-20 -138.7 138.05 37.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.559 ' HB3' HG22 ' A' ' 95' ' ' VAL . 42.3 t-80 -87.92 0.22 56.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.55 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . . . 62.24 55.0 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.05 -21.67 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.632 HG23 ' N ' ' A' ' 96' ' ' ARG . 18.2 m -112.8 -56.42 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.632 ' N ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -177.55 -178.51 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 91' ' ' GLU . 40.9 m -134.46 102.94 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -78.87 156.35 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.5 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 16.8 m-85 -127.88 150.19 49.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 31.2 m-85 -152.8 120.98 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.6 t -103.65 149.65 24.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -121.94 143.35 49.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.51 -36.46 82.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.5 m -125.52 151.99 71.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.403 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.2 Cg_endo -69.77 -18.52 36.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -77.8 -16.55 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -93.56 -41.27 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 87' ' ' THR . 18.8 tt0 -56.74 -57.49 12.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.3 pt-20 -57.72 -49.24 77.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -53.63 -48.89 68.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.543 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 35.2 m95 -57.05 -49.62 75.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.6 mt -51.89 -42.83 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -50.08 -43.66 51.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.27 -54.62 5.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.617 ' HB3' HG21 ' A' ' 73' ' ' VAL . 10.5 mtt -58.5 -59.87 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -45.81 -56.0 6.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.24 -45.06 96.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.87 -13.66 61.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -106.47 -2.54 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.895 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.5 mttm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.795 0.331 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.498 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 7.1 ttt-85 -97.02 120.5 37.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -77.97 143.28 65.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -37.15 9.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -63.12 -39.76 95.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.73 129.63 71.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 131.54 21.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.27 . . . . 0.0 112.306 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.796 ' HA ' HG22 ' A' ' 47' ' ' VAL . 5.7 p -66.19 117.27 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -66.11 -63.64 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.529 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 33.1 tttp -150.58 133.54 16.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.94 146.99 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.65 157.48 17.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 94.7 m95 -76.36 112.92 13.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.787 0.327 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 101' ' ' SER . 16.1 mt -120.02 170.59 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 3.4 m-85 -117.93 114.33 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -91.74 124.52 35.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -58.43 154.57 13.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.912 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.83 0.347 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -132.09 135.83 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -112.88 124.34 52.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 18.9 tttm -86.97 108.15 18.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -129.43 158.92 37.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.582 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 49.5 t-105 -73.72 118.45 16.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.583 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.7 m-85 -100.97 141.89 33.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.471 HG21 ' OE1' ' A' ' 59' ' ' GLU . 97.7 t -143.01 128.33 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 50' ' ' CYS . 29.3 tp -103.39 113.61 27.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.796 HG22 ' HA ' ' A' ' 22' ' ' VAL . 17.7 t -141.9 136.12 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 56.91 54.1 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 46.02 28.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.63 ' O ' HD12 ' A' ' 46' ' ' LEU . 70.8 m -133.17 153.09 51.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.758 HD12 HD11 ' A' ' 68' ' ' LEU . 2.8 tt -103.13 131.29 50.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 38.8 m-85 -133.35 119.67 20.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 5.7 p90 -108.32 122.79 47.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.46 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 73.7 m-85 -105.56 149.78 25.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HB3' HD11 ' A' ' 63' ' ' LEU . 44.0 pttt -44.9 -32.36 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -152.99 -175.05 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.582 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 4.4 tp10 -69.24 -26.38 64.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -49.68 -27.18 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.471 ' OE1' HG21 ' A' ' 45' ' ' VAL . 34.4 mt-10 51.5 53.72 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -75.02 -64.16 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.2 t -134.18 143.03 47.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.0 mt -71.78 116.36 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.678 HD11 ' HB3' ' A' ' 55' ' ' LYS . 73.9 mt -74.24 -45.21 49.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.81 115.12 0.64 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 p -90.5 137.2 32.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.6 mt -129.73 115.29 18.03 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 119.52 6.45 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.758 HD11 HD12 ' A' ' 51' ' ' LEU . 22.8 mt -93.96 -25.51 17.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.9 tp -52.43 -15.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 13.0 m -118.83 33.77 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -137.36 174.62 10.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -133.58 89.43 2.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 115' ' ' MET . 49.0 t -66.44 146.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -169.53 134.74 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.61 138.88 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.921 HG22 ' O ' ' A' ' 87' ' ' THR . 3.3 m -53.7 168.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -114.49 158.72 39.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -1.87 9.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.314 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -106.49 -12.56 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.11 156.93 36.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -85.14 46.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.2 mm -114.48 88.75 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.2 m -45.71 -33.22 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -63.53 162.96 11.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -108.18 -58.43 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 5.4 m-70 -76.9 64.39 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.921 ' O ' HG22 ' A' ' 76' ' ' VAL . 52.8 m -130.79 143.46 50.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -127.75 131.63 49.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 2.4 pttm -101.34 133.36 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -111.27 125.4 53.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' ARG . 2.9 pt-20 -124.8 143.44 50.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.692 ' ND1' HG23 ' A' ' 95' ' ' VAL . 3.7 t-80 -106.33 -10.84 16.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 60.96 35.28 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -161.46 -40.84 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.692 HG23 ' ND1' ' A' ' 92' ' ' HIS . 17.9 t -104.97 -71.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 111.1 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.44 ' NE ' ' OH ' ' A' ' 98' ' ' TYR . 6.4 ptt180 -167.36 172.98 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.7 m -114.82 117.63 31.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.44 ' OH ' ' NE ' ' A' ' 96' ' ' ARG . 21.8 m-85 -88.78 171.53 9.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 19.6 m-85 -139.24 141.99 37.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 12.7 m-85 -144.43 132.38 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.446 ' O ' HD23 ' A' ' 28' ' ' LEU . 13.6 t -116.57 160.92 19.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.88 138.4 48.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.71 -44.29 96.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.27 146.42 33.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.845 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.537 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.71 -17.94 37.51 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -77.8 -30.96 51.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -78.67 -40.51 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -52.05 -62.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.3 pt-20 -54.48 -49.04 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.24 -42.08 72.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.529 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.7 m95 -61.1 -52.74 63.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.54 -49.85 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -46.05 -40.44 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.27 -57.29 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.584 ' HB3' HG21 ' A' ' 73' ' ' VAL . 13.4 mtt -57.88 -65.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' MET . . . -37.66 -49.47 1.86 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -68.04 -60.15 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.47 -18.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.54 -43.35 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 120' ' ' ARG . 3.1 ptp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.763 0.316 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.64 ' CZ ' HG21 ' A' ' 47' ' ' VAL . 9.1 tpt85 -103.68 135.03 46.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -113.95 139.24 23.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.641 0.734 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.61 30.55 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -69.34 -42.2 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.83 123.52 79.99 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 111.091 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 134.12 27.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.697 ' HA ' HG22 ' A' ' 47' ' ' VAL . 5.0 p -61.36 113.62 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -63.82 -55.34 23.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 32.7 tttp -159.2 134.3 8.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -134.96 131.26 36.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.63 154.32 25.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -72.37 108.46 5.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 0.0 110.956 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' A' ' 111' ' ' TRP . 36.7 mt -120.23 178.05 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 45.8 m-85 -116.8 123.82 48.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -99.71 99.89 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 7.8 tt0 -46.43 148.71 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.838 0.352 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 69.1 m95 -61.92 122.56 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -104.86 99.27 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 19.3 tttm -59.72 120.5 9.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -138.97 158.88 43.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.455 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 38.9 t-105 -74.08 117.67 16.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.3 m-85 -100.35 138.26 37.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.3 t -140.1 129.14 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 50' ' ' CYS . 52.6 tp -103.36 113.93 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 22' ' ' VAL . 15.1 t -142.85 134.67 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 59.09 52.33 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 47.17 28.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.651 ' O ' HD12 ' A' ' 46' ' ' LEU . 17.2 t -133.07 151.32 52.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.677 HD12 HD11 ' A' ' 68' ' ' LEU . 3.9 tt -101.43 129.57 47.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 46.6 m-85 -131.17 119.35 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.6 p90 -108.6 120.65 43.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -104.42 155.88 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' CA ' HD11 ' A' ' 63' ' ' LEU . 10.9 pttp -50.19 -39.36 43.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -155.03 -178.36 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.7 -18.54 54.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -54.93 -35.69 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 58.51 46.41 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -65.24 -63.25 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -143.5 147.24 34.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.54 121.93 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.59 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 45.9 mt -79.39 -40.15 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -164.73 114.54 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.4 p -88.71 141.81 28.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mt -138.76 112.36 8.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.73 4.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.677 HD11 HD12 ' A' ' 51' ' ' LEU . 39.9 mt -84.41 -34.51 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -41.91 -23.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.598 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 32.4 t -115.78 43.04 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.683 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 16.1 m-85 -143.13 175.08 10.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -133.88 92.85 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 115' ' ' MET . 25.7 t -72.42 142.14 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.06 128.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.4 160.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.425 HG21 ' HB ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -74.48 172.96 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -112.24 160.24 30.88 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.703 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -9.11 25.31 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.6 p -91.13 -20.34 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -67.91 156.73 36.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -94.07 46.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.418 HD12 HG11 ' A' ' 76' ' ' VAL . 1.4 mt -108.92 102.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.2 p -59.8 -47.98 83.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -56.05 137.25 51.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -94.11 175.09 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 52.11 49.98 19.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 88' ' ' PHE . 18.6 m -110.87 159.17 17.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.492 ' N ' HG22 ' A' ' 87' ' ' THR . 1.3 p90 -153.56 132.39 12.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.496 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -118.26 146.57 44.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.91 132.35 53.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -124.6 138.02 54.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.618 ' ND1' HG23 ' A' ' 95' ' ' VAL . 11.5 t-80 -106.68 -6.59 17.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 54.16 51.93 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.48 -35.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.618 HG23 ' ND1' ' A' ' 92' ' ' HIS . 11.2 t -109.92 -70.67 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.462 ' NE ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -164.44 -177.31 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.9 m -129.24 104.6 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -78.87 153.47 30.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 11.2 m-85 -122.95 155.27 37.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 31.7 m-85 -155.91 119.38 4.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 t -99.38 157.39 16.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.53 142.99 49.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.46 -46.11 84.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.4 p -117.45 154.55 50.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.747 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -20.53 34.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -73.26 -24.97 60.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -84.09 -42.92 15.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -59.34 -53.04 62.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.5 pt-20 -58.86 -46.03 88.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.452 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -61.83 -47.45 85.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.508 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 31.7 m95 -56.86 -44.25 82.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 116' ' ' GLY . 74.2 mt -58.68 -38.64 72.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -53.54 -46.25 70.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.53 -53.56 6.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.619 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.4 mtt -60.96 -60.85 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.97 -49.09 9.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.63 -45.96 81.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.96 -29.61 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.683 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -78.76 -45.15 21.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.91 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.773 0.32 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.565 ' CB ' HD11 ' A' ' 62' ' ' ILE . 9.1 tpt85 -93.76 132.42 38.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.457 ' OD1' ' ND2' ' A' ' 19' ' ' ASN . 6.8 t-20 -102.82 121.92 47.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.25 35.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.314 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.457 ' ND2' ' OD1' ' A' ' 17' ' ' ASN . 1.2 p30 -90.36 -33.99 15.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.79 131.08 91.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 138.01 36.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.606 ' HA ' HG22 ' A' ' 47' ' ' VAL . 74.3 t -62.23 110.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.474 ' CG2' HD23 ' A' ' 46' ' ' LEU . 31.3 m -59.39 -43.15 92.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.572 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 37.2 tttp -173.76 132.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.48 143.24 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.33 146.83 7.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.494 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 74.7 m95 -72.92 104.7 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -110.6 173.5 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -115.56 116.76 28.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -97.75 108.72 21.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -48.44 145.96 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.809 0.338 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -71.69 133.85 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -107.83 121.19 44.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -75.12 126.04 30.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -145.42 154.88 42.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 60.7 t-105 -75.31 122.23 23.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -106.57 134.76 49.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.7 t -139.05 127.89 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 50' ' ' CYS . 18.9 tp -104.1 113.29 26.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 22' ' ' VAL . 9.6 t -143.95 142.45 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 58.36 49.43 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.703 ' HE ' HD22 ' A' ' 69' ' ' LEU . 4.8 tmm_? 46.32 48.8 13.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.715 ' O ' HD12 ' A' ' 46' ' ' LEU . 49.2 t -159.33 156.84 29.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.796 HD12 HD11 ' A' ' 68' ' ' LEU . 2.5 tt -100.3 133.33 44.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.471 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 28.9 m-85 -131.36 119.33 21.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 5.7 p90 -106.61 122.42 46.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.424 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 74.7 m-85 -112.15 154.0 26.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.538 ' N ' HD11 ' A' ' 63' ' ' LEU . 24.4 pttm -54.07 -37.47 64.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -150.32 177.96 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.72 -22.39 57.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -53.48 -37.45 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 21.9 mt-10 53.28 34.18 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -51.73 -59.59 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.9 m -135.08 141.36 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.565 HD11 ' CB ' ' A' ' 16' ' ' ARG . 65.4 mt -68.47 119.59 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.559 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 45.9 mt -72.39 -41.71 66.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -175.46 116.72 0.58 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -82.78 140.31 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.839 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 80.7 mt -129.94 116.19 17.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.567 0.698 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 134.12 27.16 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.796 HD11 HD12 ' A' ' 51' ' ' LEU . 41.3 mt -110.06 -21.27 12.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.76 ' H ' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -51.9 -16.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -100.86 -32.08 10.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.881 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 7.1 m-85 -79.39 169.54 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' VAL . 69.9 ttt180 -130.86 64.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.788 HG21 ' HB3' ' A' ' 115' ' ' MET . 48.6 t -33.69 144.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.92 129.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.45 152.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 87' ' ' THR . 2.5 m -66.22 -176.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.452 ' CD ' ' HD2' ' A' ' 78' ' ' PRO . 5.7 mm-40 -136.18 162.0 59.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HD2' ' CD ' ' A' ' 77' ' ' GLN . 53.7 Cg_endo -69.74 -4.33 13.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.244 . . . . 0.0 112.37 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 t -95.91 -17.73 20.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.63 156.65 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.52 47.29 1.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.8 mm -106.04 126.65 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.7 t -94.79 -43.25 8.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -64.92 135.42 55.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -86.15 161.2 18.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 67.52 50.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.739 ' O ' HG22 ' A' ' 76' ' ' VAL . 37.9 m -122.36 147.93 45.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -131.76 131.38 42.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 8.6 pttt -105.19 135.41 46.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -106.73 131.2 54.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -137.19 134.61 36.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.527 ' ND1' HG23 ' A' ' 95' ' ' VAL . 1.9 t-80 -98.92 -16.57 18.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 70.79 37.24 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.69 -31.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.527 HG23 ' ND1' ' A' ' 92' ' ' HIS . 60.0 t -107.26 -63.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 111.105 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.546 ' HD3' ' CE2' ' A' ' 98' ' ' TYR . 0.2 OUTLIER -175.0 178.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.3 m -122.22 106.42 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 96' ' ' ARG . 30.5 m-85 -81.47 169.88 16.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 20.8 m-85 -140.88 138.27 33.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -139.15 118.5 12.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -96.91 150.08 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -125.5 123.0 38.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.79 -43.36 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.2 p -121.57 153.82 59.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.701 0.763 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -22.86 31.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -74.15 -19.16 60.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -81.41 -54.1 5.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 111' ' ' TRP . 9.8 tt0 -56.49 -63.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 110' ' ' ALA . 7.5 pt-20 -38.97 -44.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 109' ' ' GLU . . . -72.38 -34.14 67.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.572 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 32.0 m95 -68.6 -42.62 77.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 116' ' ' GLY . 79.9 mt -57.77 -39.87 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.22 -46.81 69.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.35 -56.7 4.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.788 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.3 mtt -59.5 -59.33 5.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -47.93 -51.25 19.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -63.36 -55.27 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.98 -21.95 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.881 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -78.8 -45.17 21.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.916 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.783 0.325 . . . . 0.0 110.947 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.504 ' HE ' HG21 ' A' ' 47' ' ' VAL . 22.2 ttt-85 -74.69 139.95 43.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -86.65 124.13 69.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -13.37 34.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -88.29 -36.01 16.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.4 128.97 93.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 130.45 19.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.699 ' HA ' HG22 ' A' ' 47' ' ' VAL . 95.5 t -52.82 109.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 m -58.53 -59.34 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 10.5 tttm -154.33 138.18 16.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.521 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.17 130.93 45.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.07 142.55 7.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.65 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 68.2 m95 -70.78 106.05 3.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.543 HD11 ' CE2' ' A' ' 111' ' ' TRP . 45.6 mt -110.65 174.04 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 5.8 m-85 -117.06 105.85 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -83.22 116.22 22.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.435 ' NE2' ' CD1' ' A' ' 82' ' ' ILE . 4.8 tt0 -53.47 159.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.771 0.32 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.419 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 57.1 m95 -61.0 143.54 55.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -110.49 112.27 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 36.0 tttt -77.53 119.53 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -141.12 167.61 21.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.65 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 33.5 t-105 -80.71 116.15 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.484 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.21 136.56 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.0 t -138.76 126.88 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.4 tp -103.13 112.96 26.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.699 HG22 ' HA ' ' A' ' 22' ' ' VAL . 12.5 t -143.0 135.73 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t70 58.49 54.6 5.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 44.65 29.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.2 t -134.96 147.58 49.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.53 ' HB2' HD11 ' A' ' 68' ' ' LEU . 3.3 tt -98.91 131.05 45.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 50' ' ' CYS . 35.8 m-85 -131.55 119.25 21.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.573 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 37.5 p90 -109.6 118.69 37.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.448 ' CE2' HG12 ' A' ' 62' ' ' ILE . 66.4 m-85 -103.4 140.92 36.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.621 ' HB3' HD11 ' A' ' 63' ' ' LEU . 18.4 pttm -40.42 -41.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -142.41 -175.1 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 1.9 pp20? -80.88 41.87 0.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -99.86 -32.91 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 54.8 48.31 20.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -106.23 -64.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -111.88 129.21 56.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.448 HG12 ' CE2' ' A' ' 54' ' ' TYR . 81.0 mt -82.93 118.67 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 55' ' ' LYS . 58.8 mt -76.08 -45.18 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.58 134.04 3.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 p -118.01 133.46 55.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.469 HG12 ' CZ ' ' A' ' 98' ' ' TYR . 3.9 mp -119.67 120.73 30.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 80.24 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.376 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 51' ' ' LEU . 87.7 mt -51.37 -33.25 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tp -49.32 -18.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 73.2 m -123.21 46.99 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 23.0 m-85 -147.16 166.76 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -122.98 87.88 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 115' ' ' MET . 21.3 t -67.24 144.53 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.99 151.12 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.81 153.52 36.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.618 HG11 HG13 ' A' ' 82' ' ' ILE . 4.0 m -68.97 170.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -120.28 159.51 47.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.636 0.732 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.3 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.6 m -104.8 -19.84 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -73.91 163.34 28.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -83.92 38.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.641 HD11 ' CE2' ' A' ' 99' ' ' PHE . 43.4 mm -99.23 108.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.186 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.8 m -81.81 40.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' CZ ' ' OG ' ' A' ' 101' ' ' SER . 12.4 mtp180 -132.8 175.22 9.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -106.68 -66.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 2.9 m-70 -89.97 83.85 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.503 ' HB ' HG21 ' A' ' 76' ' ' VAL . 77.2 m -133.18 156.52 47.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.477 ' N ' HG22 ' A' ' 87' ' ' THR . 12.1 p90 -150.8 131.17 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.552 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -120.33 145.64 46.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.727 ' O ' HG23 ' A' ' 97' ' ' THR . . . -103.11 150.18 23.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -140.49 134.69 31.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.546 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 6.6 t-80 -106.95 -2.19 21.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 49.81 40.23 19.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.03 -41.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.463 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.413 HG23 ' ND1' ' A' ' 92' ' ' HIS . 95.3 t -103.68 -67.42 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 111.137 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.547 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 6.5 ptm180 -170.41 -177.22 2.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 90' ' ' ALA . 21.1 m -125.0 110.22 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 43.7 m-85 -84.05 150.18 25.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.641 ' CE2' HD11 ' A' ' 82' ' ' ILE . 26.1 m-85 -120.62 143.86 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 98' ' ' TYR . 11.9 m-85 -145.39 118.57 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.436 ' OG ' ' CZ ' ' A' ' 84' ' ' ARG . 12.3 t -104.51 140.5 37.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -113.05 132.69 55.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -46.18 -54.11 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 m -112.91 160.79 29.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.694 0.759 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.422 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.74 -19.13 36.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.93 -37.01 72.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -71.2 -52.02 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -46.03 -60.29 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.535 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 8.3 pt-20 -55.4 -50.63 69.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -51.29 -42.4 61.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.543 ' CE2' HD11 ' A' ' 28' ' ' LEU . 47.8 m95 -64.9 -62.1 1.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 88.5 mt -39.84 -34.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -60.67 -46.76 89.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.68 -46.96 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.464 ' HB3' HG21 ' A' ' 73' ' ' VAL . 4.8 mtt -64.4 -63.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -40.95 -53.77 3.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -60.1 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.38 -17.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.57 -39.53 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.105 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.922 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.745 0.307 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HB2' HD11 ' A' ' 62' ' ' ILE . 12.1 tpt85 -106.25 133.92 50.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -123.95 138.97 31.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.704 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -27.86 25.95 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.71 -36.75 83.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.7 122.51 82.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 130.97 20.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.738 ' HA ' HG22 ' A' ' 47' ' ' VAL . 67.1 t -58.92 112.22 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.509 HG21 HD23 ' A' ' 46' ' ' LEU . 25.6 m -62.23 -57.86 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.53 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 30.4 tttp -155.86 136.58 13.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.92 131.28 44.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -166.48 158.24 31.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.443 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 68.3 m95 -83.76 102.71 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.781 HD11 ' CE2' ' A' ' 111' ' ' TRP . 8.7 mt -112.79 171.35 7.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 12.9 m-85 -109.91 122.57 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -96.55 106.55 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -45.97 145.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -110.32 124.3 51.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -111.65 133.98 53.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.546 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -91.94 125.16 36.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -137.17 158.57 44.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 48.3 t-105 -73.04 113.99 10.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.414 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.4 m-85 -100.46 143.58 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.3 t -148.12 128.23 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 50' ' ' CYS . 22.0 tp -103.28 112.98 26.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' A' ' 22' ' ' VAL . 15.8 t -142.46 133.79 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t0 63.93 54.99 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 44.59 29.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.696 ' O ' HD12 ' A' ' 46' ' ' LEU . 79.4 m -138.65 163.51 31.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 52' ' ' PHE . 3.5 tt -109.55 139.65 44.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.54 ' N ' HD23 ' A' ' 51' ' ' LEU . 48.5 m-85 -137.17 119.35 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.6 p90 -106.56 120.34 41.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.429 ' CE2' HG12 ' A' ' 62' ' ' ILE . 79.2 m-85 -108.67 157.38 18.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' HD11 ' A' ' 63' ' ' LEU . 13.8 pttp -51.62 -42.22 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -150.95 -177.31 5.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.9 -24.01 65.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -54.27 -40.77 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 60.55 47.68 8.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.48 -54.47 45.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -146.75 141.36 26.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.571 HD11 ' HB2' ' A' ' 16' ' ' ARG . 78.3 mt -63.96 131.29 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 39.7 mt -87.78 -38.29 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.26 130.29 1.66 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.439 ' C ' HG13 ' A' ' 66' ' ' ILE . 82.6 p -99.2 147.62 24.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.617 HG21 ' CE2' ' A' ' 98' ' ' TYR . 11.1 mt -138.99 120.82 10.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.598 0.713 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 136.8 33.81 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.318 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.414 HD11 HD12 ' A' ' 51' ' ' LEU . 59.7 mt -119.52 -25.72 5.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 tp -46.8 -19.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 68' ' ' LEU . 74.6 m -107.17 -21.83 12.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.976 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 25.5 m-85 -86.94 164.6 16.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -126.45 90.0 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.848 HG22 ' HB2' ' A' ' 90' ' ' ALA . 98.0 t -63.3 146.52 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.47 136.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.84 162.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 87' ' ' THR . 4.1 m -74.58 -177.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -130.85 159.75 69.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 1.36 4.46 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.6 p -101.27 -26.41 13.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -67.97 155.85 38.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -87.55 50.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.0 mm -105.16 131.83 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -80.08 -53.22 6.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -50.05 162.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -96.63 -69.24 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 6.4 m-70 -74.33 82.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.505 ' O ' HG22 ' A' ' 76' ' ' VAL . 88.4 m -131.99 156.16 46.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 0.9 OUTLIER -146.73 131.53 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -114.79 148.33 38.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.848 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -121.49 140.08 52.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.441 ' C ' ' CD2' ' A' ' 71' ' ' PHE . 3.2 pt-20 -139.67 153.37 47.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 1.7 t-160 -103.98 -75.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.611 ' H ' HG22 ' A' ' 95' ' ' VAL . . . -175.94 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 44.14 46.28 8.06 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.657 HG23 ' H ' ' A' ' 96' ' ' ARG . 5.8 m -132.64 -57.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.657 ' H ' HG23 ' A' ' 95' ' ' VAL . 2.5 ptm85 -172.06 166.56 6.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.9 m -134.54 106.84 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.617 ' CE2' HG21 ' A' ' 66' ' ' ILE . 91.8 m-85 -78.58 154.41 30.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 49.8 m-85 -135.3 136.35 41.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 16.4 m-85 -140.43 134.33 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 p -112.71 156.9 22.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . -131.36 123.61 28.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.08 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.9 mm-40 -36.2 -53.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 m -111.94 161.58 25.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.726 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.421 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.79 -18.7 36.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -72.54 -41.14 66.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.89 -45.3 78.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -53.87 -58.93 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.8 pt-20 -56.89 -48.63 77.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.03 -42.69 76.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.781 ' CE2' HD11 ' A' ' 28' ' ' LEU . 33.0 m95 -61.31 -54.39 44.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 116' ' ' GLY . 92.3 mt -48.54 -41.39 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -50.57 -49.4 56.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.68 -55.72 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.409 ' HB3' HG21 ' A' ' 73' ' ' VAL . 4.6 mtt -56.45 -61.03 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -49.52 -53.0 22.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -56.18 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.75 -16.8 7.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.976 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -93.41 -39.98 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.918 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.761 0.315 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.543 ' HB3' HD11 ' A' ' 62' ' ' ILE . 43.9 ttp85 -103.48 121.45 42.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -51.36 143.26 18.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.86 37.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -115.96 38.29 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.78 125.85 31.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.703 . . . . 0.0 111.144 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 134.75 28.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.304 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.852 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.6 p -71.33 113.51 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.463 ' CG2' HD23 ' A' ' 46' ' ' LEU . 19.5 m -63.74 -52.92 58.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.57 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 35.3 tttp -154.01 143.97 21.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.494 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -132.59 140.62 48.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.55 142.48 4.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.521 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.6 m95 -73.33 111.05 8.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.8 mt -114.45 172.25 7.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 23.5 m-85 -120.37 115.39 23.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -95.01 110.25 22.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -48.54 147.13 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.827 0.346 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -104.95 126.41 51.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -104.9 118.27 36.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 27.1 tttt -81.33 124.39 29.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -144.95 157.34 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 37.7 t-105 -71.61 115.14 10.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.487 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -101.07 138.66 37.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.424 HG13 HG23 ' A' ' 22' ' ' VAL . 56.3 t -141.05 129.57 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD23 ' CG2' ' A' ' 23' ' ' THR . 18.5 tp -103.41 113.37 26.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.852 HG22 ' HA ' ' A' ' 22' ' ' VAL . 62.3 t -140.27 138.91 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 t0 55.54 54.28 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 45.92 28.5 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.442 ' O ' HD12 ' A' ' 46' ' ' LEU . 84.0 m -134.71 160.18 38.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.665 HD12 HD11 ' A' ' 68' ' ' LEU . 2.2 tt -106.14 135.22 47.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -136.34 119.52 16.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.7 p90 -107.01 128.11 54.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.472 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 89.2 m-85 -109.45 140.2 43.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.489 ' CA ' HD11 ' A' ' 63' ' ' LEU . 29.8 pttt -38.43 -39.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -151.7 -176.45 5.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -80.75 42.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -103.74 -24.81 13.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 52.35 52.29 14.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -97.14 -57.52 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.1 t -140.5 139.69 35.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.543 HD11 ' HB3' ' A' ' 16' ' ' ARG . 89.8 mt -78.19 120.77 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.178 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.489 HD11 ' CA ' ' A' ' 55' ' ' LYS . 31.0 mt -71.39 -43.45 66.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.79 139.1 5.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.435 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 m -108.96 147.12 32.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -139.97 121.25 9.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.672 0.749 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 119.63 6.55 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.665 HD11 HD12 ' A' ' 51' ' ' LEU . 30.7 mt -90.91 -25.64 19.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.782 ' H ' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -57.97 -11.46 2.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.491 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 7.5 p -118.4 34.35 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -141.34 169.21 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -127.82 79.53 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 115' ' ' MET . 38.1 t -55.41 147.3 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -172.35 160.49 4.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.89 156.96 30.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.498 HG11 HG13 ' A' ' 82' ' ' ILE . 3.1 m -76.36 157.31 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -95.5 157.85 35.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 1.3 4.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.39 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.1 m -123.75 28.03 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.29 172.76 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -90.86 47.54 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.498 HG13 HG11 ' A' ' 76' ' ' VAL . 48.2 mm -123.85 108.26 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.6 m -60.78 -43.24 98.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -61.15 138.55 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -77.84 -66.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.416 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.4 m-70 -74.06 81.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.505 HG22 ' N ' ' A' ' 88' ' ' PHE . 54.8 m -133.61 158.53 42.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.505 ' N ' HG22 ' A' ' 87' ' ' THR . 10.7 p90 -153.41 131.12 11.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.589 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -115.69 148.72 39.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.411 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -111.23 137.22 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -129.21 149.33 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 92' ' ' HIS . 8.2 t-80 -114.95 -1.29 13.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 49.42 41.4 20.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.16 -39.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.489 HG23 ' ND1' ' A' ' 92' ' ' HIS . 88.6 t -104.99 -69.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.575 ' HD2' ' CE2' ' A' ' 98' ' ' TYR . 4.3 ptp180 -166.43 -176.92 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.2 m -130.3 107.46 9.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 96' ' ' ARG . 33.8 m-85 -83.06 157.08 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 22.8 m-85 -123.03 148.94 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 98' ' ' TYR . 27.1 m-85 -154.29 120.43 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.4 t -107.9 163.58 13.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.12 138.98 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.48 -51.73 44.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 m -112.54 159.15 35.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.416 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 54.0 Cg_endo -69.73 -26.34 27.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.88 -39.4 90.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.09 -39.35 65.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -56.11 -60.57 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.9 pt-20 -56.82 -46.69 81.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.17 -50.95 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.57 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.7 m95 -55.53 -44.81 77.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 116' ' ' GLY . 83.1 mt -58.16 -37.18 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -55.25 -48.12 74.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.85 -53.17 7.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.063 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.554 ' HB3' HG21 ' A' ' 73' ' ' VAL . 5.5 mtt -61.96 -61.64 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -42.92 -48.12 6.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.53 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.54 -22.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 120' ' ' ARG . . . -77.65 -37.67 49.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 119' ' ' ALA . 22.6 ptt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.761 0.315 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.557 ' NE ' HG21 ' A' ' 47' ' ' VAL . 8.6 tpt180 -117.62 137.75 52.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -112.6 139.01 22.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.734 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -33.9 15.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -63.18 -40.01 96.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.69 125.51 82.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 130.41 19.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.81 ' HA ' HG22 ' A' ' 47' ' ' VAL . 4.8 p -61.91 117.09 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 m -66.65 -60.54 2.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.492 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 25.7 tttp -147.91 135.27 20.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.481 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -131.89 131.25 42.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 146.69 9.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 82.9 m95 -71.54 105.3 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.8 mt -106.99 174.65 5.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 2.6 m-85 -120.93 111.79 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -92.41 128.41 38.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.407 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 5.9 tt0 -68.71 142.84 54.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.808 0.337 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.493 ' CD1' ' HD2' ' A' ' 84' ' ' ARG . 49.7 m95 -73.65 125.14 27.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -104.35 109.85 21.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.483 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 15.9 tttm -65.84 122.26 16.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -141.01 162.19 36.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.576 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 33.4 t-105 -77.08 115.31 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.515 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.64 136.77 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.1 t -139.54 127.08 25.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 50' ' ' CYS . 41.8 tp -103.3 113.3 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.81 HG22 ' HA ' ' A' ' 22' ' ' VAL . 34.8 t -141.41 133.8 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 61.4 54.76 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.9 mtm-85 45.14 27.45 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.66 ' O ' HD12 ' A' ' 46' ' ' LEU . 9.9 t -133.86 151.45 51.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 68' ' ' LEU . 3.6 tt -99.12 135.96 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.518 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 30.4 m-85 -136.77 119.38 16.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 33.2 p90 -110.96 124.32 51.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -112.93 150.21 32.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -48.77 -35.27 13.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -144.41 -175.12 4.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.576 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -81.43 41.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -99.59 -40.14 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 60.24 48.12 8.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -101.59 -64.86 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 p -110.82 123.74 50.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.422 HD11 ' CB ' ' A' ' 16' ' ' ARG . 78.7 mt -72.45 123.79 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 75.9 mt -81.68 -43.78 18.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.11 125.05 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.465 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 p -105.22 138.77 40.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.8 mt -138.48 120.23 10.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.728 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 126.86 13.85 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.318 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 51' ' ' LEU . 33.6 mt -95.96 -30.9 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.79 ' H ' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -53.13 -15.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 12.9 m -117.38 30.02 7.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -134.92 176.93 8.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 91' ' ' GLU . 47.1 ttt85 -133.44 82.33 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.9 t -56.98 144.93 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.03 143.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.3 167.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.499 HG21 ' HB ' ' A' ' 87' ' ' THR . 4.3 m -88.22 158.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -98.76 158.21 32.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.703 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.86 3.16 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.722 2.281 . . . . 0.0 112.296 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.3 t -134.94 34.82 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -110.66 13.71 22.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 13.3 t-20 62.49 38.23 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.5 mm -102.3 103.51 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.3 p -83.68 40.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HD2' ' CD1' ' A' ' 39' ' ' TRP . 27.8 mtp85 -150.56 146.94 26.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -100.08 147.6 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.408 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 6.4 m-70 71.36 52.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.499 ' HB ' HG21 ' A' ' 76' ' ' VAL . 53.2 m -119.42 155.93 31.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.461 ' N ' HG22 ' A' ' 87' ' ' THR . 13.1 p90 -145.97 131.29 18.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -113.97 145.99 40.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 97' ' ' THR . . . -103.87 147.04 27.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 72' ' ' ARG . 1.1 tt0 -142.31 135.18 28.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 70' ' ' SER . 6.7 t-160 -100.03 -20.23 16.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 70.84 28.59 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.56 -33.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.462 HG23 ' ND1' ' A' ' 92' ' ' HIS . 94.9 t -107.46 -64.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.513 ' HD2' ' CZ ' ' A' ' 98' ' ' TYR . 15.3 ptp180 -172.92 -179.34 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 90' ' ' ALA . 92.6 m -125.36 109.63 13.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.513 ' CZ ' ' HD2' ' A' ' 96' ' ' ARG . 68.1 m-85 -82.38 159.39 23.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 59.2 m-85 -125.98 150.52 47.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 52.6 m-85 -156.19 116.4 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.4 t -95.47 161.56 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.76 135.47 45.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -51.85 -54.64 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.7 m -116.33 160.55 35.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.8 -28.63 24.82 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -63.6 -31.32 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.13 -43.97 18.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -52.24 -56.27 15.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.53 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 8.4 pt-20 -60.37 -50.51 73.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.53 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -52.85 -44.48 66.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.492 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 38.1 m95 -62.16 -55.77 25.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.1 mt -45.72 -40.17 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -55.59 -45.5 77.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.84 -55.06 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 4.1 mtt -61.38 -61.26 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 119' ' ' ALA . . . -43.31 -55.11 5.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -55.8 30.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.08 -15.59 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -85.49 -41.22 15.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.857 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.75 ' NE ' HG11 ' A' ' 47' ' ' VAL . 10.2 tpt180 -138.48 155.05 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 35.9 m-80 -131.68 142.47 45.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -38.22 7.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.252 . . . . 0.0 112.364 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -61.92 -41.09 97.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.95 122.95 24.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 130.6 19.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.857 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.1 p -64.96 117.05 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.7 m -65.11 -60.0 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 41.3 tttp -152.74 132.22 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.57 138.68 48.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.11 150.67 12.54 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.488 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.3 m95 -70.61 104.61 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.402 HD12 ' CD2' ' A' ' 44' ' ' PHE . 15.6 mt -104.9 178.27 4.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -122.73 103.27 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -77.33 158.23 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 6.5 tt0 -106.36 134.51 49.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 57.3 m95 -45.36 159.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -139.93 111.25 7.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -64.43 120.57 12.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -143.44 154.88 44.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 49.3 t-105 -73.33 119.84 18.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.1 m-85 -102.59 137.83 40.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -139.08 128.82 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 50' ' ' CYS . 63.3 tp -103.24 113.21 26.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' A' ' 22' ' ' VAL . 47.0 t -140.69 134.57 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.07 54.88 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 45.51 27.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.867 ' O ' HD12 ' A' ' 46' ' ' LEU . 97.3 m -131.53 159.11 39.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 44' ' ' PHE . 2.9 tt -105.76 134.05 49.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.431 ' N ' HD23 ' A' ' 51' ' ' LEU . 53.3 m-85 -135.98 119.47 16.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 28.4 p90 -108.98 125.88 52.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.582 ' CE2' HG12 ' A' ' 62' ' ' ILE . 52.8 m-85 -114.77 138.15 51.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.725 ' N ' HD11 ' A' ' 63' ' ' LEU . 16.5 pttm -38.35 -37.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.441 ' HB2' ' CG ' ' A' ' 58' ' ' LYS . 18.2 m-20 -146.24 173.47 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.503 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 38.2 mt-10 -60.92 -27.63 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -46.92 -39.77 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.499 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 27.2 mt-10 61.25 42.59 11.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -62.74 -56.1 20.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -138.6 137.85 37.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.582 HG12 ' CE2' ' A' ' 54' ' ' TYR . 89.6 mt -67.9 125.23 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.725 HD11 ' N ' ' A' ' 55' ' ' LYS . 26.6 mt -78.77 -42.04 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.77 130.63 2.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.436 ' C ' HG13 ' A' ' 66' ' ' ILE . 19.5 p -99.69 148.83 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.846 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 65' ' ' SER . 47.7 mt -144.81 116.96 5.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 53.7 Cg_endo -69.84 122.69 9.34 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.318 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -94.73 -31.43 13.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.729 HD23 ' N ' ' A' ' 70' ' ' SER . 0.7 OUTLIER -54.37 -12.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.729 ' N ' HD23 ' A' ' 69' ' ' LEU . 32.5 p -123.29 41.02 3.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 67' ' ' PRO . 14.6 m-85 -143.8 -179.3 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -134.63 88.87 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.4 142.85 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.84 151.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' VAL . . . -62.05 141.91 57.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 87' ' ' THR . 3.3 m -48.46 178.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -106.11 163.73 16.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 119.95 6.82 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t 75.0 40.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.24 18.21 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.4 m120 62.48 35.73 14.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 84' ' ' ARG . 28.0 mm -113.98 97.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' ILE . 17.4 m -38.24 -44.23 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 82' ' ' ILE . 36.3 mtp85 -65.51 175.56 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -116.98 -67.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.411 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.7 m-70 -72.49 83.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 88' ' ' PHE . 53.5 m -128.31 155.66 44.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 7.6 p90 -146.45 131.06 17.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.592 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -120.92 145.53 47.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.693 ' O ' HG23 ' A' ' 97' ' ' THR . . . -103.64 154.76 19.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -151.0 132.7 14.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.634 ' ND1' HG23 ' A' ' 95' ' ' VAL . 4.5 t-80 -101.35 -16.09 17.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 69.05 48.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.3 -27.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.634 HG23 ' ND1' ' A' ' 92' ' ' HIS . 46.3 t -109.74 -65.2 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 98' ' ' TYR . 9.8 ptm180 -175.24 -178.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 90' ' ' ALA . 32.2 m -127.44 104.29 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 48.9 m-85 -79.42 155.5 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 16.9 m-85 -123.71 147.55 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 34.6 m-85 -155.25 124.26 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.3 t -109.9 169.63 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -134.79 132.72 39.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.78 -19.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 m -145.96 159.06 47.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.79 -35.18 13.03 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -58.96 -34.58 71.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -77.54 -40.53 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.74 -52.25 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.2 pt-20 -61.27 -49.65 76.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.51 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.21 -47.46 78.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.542 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 30.2 m95 -55.82 -47.74 76.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 116' ' ' GLY . 96.7 mt -57.74 -41.28 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -52.07 -46.51 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.02 -54.66 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.494 ' SD ' HD12 ' A' ' 51' ' ' LEU . 4.9 mtt -61.87 -59.98 4.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -43.81 -51.98 6.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.78 -53.67 43.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.19 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.77 -49.82 42.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.596 ' HB3' HD11 ' A' ' 62' ' ' ILE . 17.8 ttt-85 -122.59 150.1 43.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 51.9 m-80 -102.48 139.73 20.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -41.0 4.65 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -59.62 -41.45 90.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.16 133.84 16.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.068 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 140.38 42.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.706 ' HA ' HG22 ' A' ' 47' ' ' VAL . 53.5 t -76.79 111.74 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.466 ' HB ' HD23 ' A' ' 46' ' ' LEU . 2.3 m -61.41 -56.57 18.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 31.1 tttp -159.12 142.66 14.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.679 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -133.42 144.14 49.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.91 150.27 7.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -74.58 109.63 8.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.813 0.34 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -111.85 176.79 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -115.8 120.04 37.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -96.41 118.54 33.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.479 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 5.7 tt0 -56.83 136.89 55.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.914 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.74 0.305 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 84' ' ' ARG . 53.5 m95 -123.64 137.28 54.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -111.46 114.83 28.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -71.64 114.82 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -133.38 169.13 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.679 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 66.9 t-105 -83.12 119.46 24.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.45 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.0 m-85 -105.09 138.43 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG2' ' NE1' ' A' ' 43' ' ' TRP . 88.5 t -140.26 128.53 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 50' ' ' CYS . 38.6 tp -103.94 114.2 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.706 HG22 ' HA ' ' A' ' 22' ' ' VAL . 3.9 t -144.16 130.63 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 t0 65.83 54.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 45.45 27.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.777 ' O ' HD12 ' A' ' 46' ' ' LEU . 68.3 m -135.89 158.33 44.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.662 ' HB2' HD11 ' A' ' 68' ' ' LEU . 3.0 tt -104.16 143.12 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' N ' HD23 ' A' ' 51' ' ' LEU . 47.4 m-85 -139.52 119.23 13.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.539 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 13.9 p90 -107.31 118.32 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 59' ' ' GLU . 88.1 m-85 -104.22 179.46 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HB3' HD11 ' A' ' 63' ' ' LEU . 16.6 pttm -80.2 -31.29 38.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -156.57 179.79 8.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.82 -14.89 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 59' ' ' GLU . 41.6 mttp -72.66 -25.14 61.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 0.2 OUTLIER 32.82 54.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.55 -63.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -124.72 132.17 53.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.596 HD11 ' HB3' ' A' ' 16' ' ' ARG . 88.9 mt -58.3 115.31 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.092 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 28.2 mt -74.51 -38.55 62.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.466 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -170.29 119.62 0.82 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.437 ' C ' HG13 ' A' ' 66' ' ' ILE . 12.4 t -91.32 160.96 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.437 HG13 ' C ' ' A' ' 65' ' ' SER . 73.8 mt -148.22 115.94 4.0 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 105.8 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.725 2.284 . . . . 0.0 112.33 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 51' ' ' LEU . 91.0 mt -83.65 -30.25 27.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.4 tp -50.03 -16.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 36.4 t -118.14 33.14 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 92' ' ' HIS . 21.9 m-85 -141.4 165.02 28.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -126.33 95.09 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.813 HG21 ' HB3' ' A' ' 115' ' ' MET . 12.7 t -69.94 128.52 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.11 135.22 13.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.82 159.39 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 87' ' ' THR . 0.2 OUTLIER -72.97 178.57 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.524 ' NE2' ' HD2' ' A' ' 78' ' ' PRO . 2.7 mm100 -107.09 165.15 13.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.524 ' HD2' ' NE2' ' A' ' 77' ' ' GLN . 53.5 Cg_endo -69.83 -12.86 33.61 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 m -128.04 53.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -117.24 169.1 9.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.54 ' O ' HD13 ' A' ' 82' ' ' ILE . 8.5 m120 -83.15 49.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 81' ' ' ASN . 49.2 mm -133.36 90.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t -44.85 -38.9 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 39' ' ' TRP . 50.6 mtt85 -60.6 171.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -109.91 -66.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -74.18 79.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 76' ' ' VAL . 18.5 m -130.73 153.15 49.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 8.7 p90 -144.89 131.29 19.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -122.4 137.03 55.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 71' ' ' PHE . . . -100.71 120.03 39.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -106.78 138.88 42.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 70' ' ' SER . 7.6 t-80 -132.84 78.46 1.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -34.97 93.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 151.79 -26.87 0.93 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.6 t -127.61 -75.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -169.1 -175.92 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 60.3 m -125.45 109.51 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -78.82 151.25 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 12.3 m-85 -123.34 138.93 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 29.3 m-85 -140.79 125.08 17.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t -110.09 147.02 34.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.29 151.19 37.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.58 -41.11 89.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m -125.51 158.98 62.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.749 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -21.21 33.56 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.289 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -71.16 -35.75 71.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -77.81 -40.3 40.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -57.52 -59.55 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.0 pt-20 -55.07 -47.96 74.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.487 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -58.35 -45.13 88.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TRP . . . . . 0.512 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 26.4 m95 -58.46 -41.87 86.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 116' ' ' GLY . 97.4 mt -62.07 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -47.22 -43.79 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.06 -53.38 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.813 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.2 mtt -59.51 -63.89 1.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.71 -48.26 9.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.12 -32.71 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.71 -12.75 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -97.72 -25.06 15.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.918 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -154.23 113.86 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 110.819 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -92.81 177.83 5.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.75 -179.74 16.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p 43.77 42.14 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.1 p -117.42 -50.69 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.64 152.88 26.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.14 52.94 0.75 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -173.92 143.01 0.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.7 112.69 25.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 42.1 t -98.51 -47.87 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -129.86 140.42 51.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.837 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -122.56 92.9 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 97.0 mmm -122.29 136.33 54.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -167.09 146.73 5.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.674 ' HG3' HG11 ' A' ' 47' ' ' VAL . 59.8 ttt180 -66.79 108.55 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -50.31 144.64 11.37 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.73 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -25.17 28.66 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -112.32 38.06 2.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.75 126.07 29.18 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.566 0.698 . . . . 0.0 111.108 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 131.26 20.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.836 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.1 p -65.68 117.15 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.418 ' CG2' HD23 ' A' ' 46' ' ' LEU . 18.9 m -67.21 -60.58 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.548 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 39.7 tttp -153.22 138.46 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.514 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -132.65 143.79 49.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.46 146.05 6.9 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.482 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.59 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.4 m95 -70.72 117.78 12.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.8 0.333 . . . . 0.0 110.959 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.5 mt -123.94 168.75 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -108.9 114.23 27.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -94.06 119.18 32.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -58.93 147.52 33.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.42 166.77 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.057 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.5 p -62.96 160.93 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.0 t -42.08 -34.05 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.21 -99.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.4 p -69.29 136.58 25.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 111.18 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.2 mmtm -95.99 100.01 11.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -171.72 172.25 4.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.48 ' HZ2' HG23 ' A' ' 82' ' ' ILE . 88.6 m95 -113.18 146.28 39.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -125.6 103.81 8.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -64.83 125.86 26.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -142.98 168.76 18.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.59 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 45.1 t-105 -88.55 117.74 27.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.721 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.4 m-85 -100.81 139.77 36.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 65.2 t -141.18 129.14 22.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 50' ' ' CYS . 19.4 tp -103.79 113.53 27.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.836 HG22 ' HA ' ' A' ' 22' ' ' VAL . 32.4 t -140.99 138.1 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 58.1 54.11 6.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.826 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 45.64 29.07 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.434 ' O ' HD12 ' A' ' 46' ' ' LEU . 87.1 m -136.42 155.01 50.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.721 HD21 ' CD2' ' A' ' 44' ' ' PHE . 2.4 tt -100.91 138.31 38.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.466 ' N ' HD23 ' A' ' 51' ' ' LEU . 27.0 m-85 -140.07 119.72 13.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -107.82 129.93 55.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -113.23 153.86 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -54.76 -32.26 59.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -153.82 176.66 11.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -63.52 -12.94 36.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -60.16 -35.4 75.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 58.81 44.34 17.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.53 -58.71 7.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 m -149.29 142.93 25.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.428 ' CD1' ' H ' ' A' ' 16' ' ' ARG . 92.9 mt -65.81 118.97 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 27.6 mt -79.89 -44.1 21.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -153.37 137.17 5.66 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.403 ' C ' HG13 ' A' ' 66' ' ' ILE . 69.0 m -116.3 144.96 43.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.403 HG13 ' C ' ' A' ' 65' ' ' SER . 17.3 mt -139.49 121.17 9.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.621 0.724 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.57 4.62 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.693 HD11 HD12 ' A' ' 51' ' ' LEU . 38.8 mt -90.18 -24.82 20.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.433 ' O ' HG22 ' A' ' 121' ' ' VAL . 6.5 tp -57.46 -11.79 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.1 m -121.5 40.06 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.447 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 25.1 m-85 -145.68 167.01 24.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -126.6 79.0 1.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' A' ' 90' ' ' ALA . 59.3 t -52.08 145.17 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.65 138.55 1.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.059 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -51.08 135.61 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.3 m -48.13 148.11 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -66.25 157.61 80.81 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 0.28 5.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 77.2 p -126.93 16.72 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -61.48 175.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -109.52 36.4 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.48 HG23 ' HZ2' ' A' ' 39' ' ' TRP . 3.7 mm -110.67 119.23 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.8 m -62.83 -48.68 78.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -65.2 145.72 55.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -93.38 176.11 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.402 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 9.3 m-70 54.61 53.6 10.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 88' ' ' PHE . 88.6 m -109.93 156.35 20.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.549 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -143.88 134.91 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.52 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -125.69 148.09 49.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.415 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -115.3 134.82 54.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -128.11 142.91 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.579 ' ND1' HG23 ' A' ' 95' ' ' VAL . 7.7 t-80 -108.34 -2.16 19.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 52.44 47.32 24.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -177.94 -40.38 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.579 HG23 ' ND1' ' A' ' 92' ' ' HIS . 79.4 t -100.34 -65.81 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 111.16 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -172.14 -178.42 2.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.9 m -127.76 109.83 12.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -82.75 162.62 21.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 12.7 m-85 -136.22 151.76 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 42.9 m-85 -155.92 117.08 3.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.0 t -92.91 157.96 16.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.14 138.21 46.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.23 -50.61 73.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 58.0 p -113.07 154.04 45.18 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.677 0.751 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.402 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.1 Cg_endo -69.77 -17.51 37.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.72 2.28 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -74.17 -37.79 63.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -71.16 -45.56 63.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -54.23 -58.9 5.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.4 pt-20 -53.82 -48.82 69.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.34 -44.53 80.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.548 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 32.5 m95 -60.0 -46.06 90.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.5 mt -58.35 -33.86 48.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -58.43 -44.02 88.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -83.02 -52.81 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.408 ' HB3' HG21 ' A' ' 73' ' ' VAL . 5.8 mtt -63.23 -57.42 10.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -48.19 -49.92 23.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.53 -56.85 7.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -49.93 -24.68 2.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -73.28 -49.51 27.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 15.9 mtt-85 -38.51 144.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 69' ' ' LEU . 4.0 t -102.48 -23.13 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 p -90.29 -53.61 4.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.921 0.391 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -155.18 140.81 17.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.55 60.6 0.47 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -65.25 134.32 53.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.4 p -141.09 136.66 32.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.45 -115.79 0.78 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.03 156.98 44.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.464 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -69.33 -56.0 8.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -115.3 -50.95 2.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 t -154.72 138.48 16.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.1 t60 -85.13 -54.28 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.4 p -113.63 149.92 33.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 85.2 mmm -80.72 128.63 33.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -143.03 143.75 32.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HE ' HG21 ' A' ' 47' ' ' VAL . 24.5 ttt180 -87.63 134.84 33.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -91.08 142.22 27.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -39.02 7.0 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -60.97 -41.31 96.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.45 132.3 53.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.582 0.706 . . . . 0.0 111.073 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 132.32 22.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.796 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.5 p -67.94 116.16 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.599 ' CG2' HD23 ' A' ' 46' ' ' LEU . 26.7 m -64.6 -56.95 10.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.565 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 21.5 tttp -152.03 136.18 16.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -129.15 137.39 51.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.053 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.5 149.53 9.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.523 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 69.9 m95 -72.38 108.55 5.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.1 mt -111.81 173.41 6.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 4.3 m-85 -120.85 131.4 54.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -109.0 118.67 37.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.454 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 8.6 tt0 -48.94 148.75 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.88 128.8 37.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.0 m -90.54 125.69 35.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.2 t 41.64 44.24 2.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -144.64 176.68 23.64 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.517 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.1 p -53.31 148.24 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.363 . . . . 0.0 111.166 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -54.77 111.17 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -170.13 174.44 5.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.454 ' CZ2' ' HG3' ' A' ' 31' ' ' GLN . 69.1 m95 -137.24 113.65 10.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -86.04 127.13 34.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.512 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 11.3 tttp -88.6 125.74 34.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -142.92 158.64 43.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 53.2 t-105 -75.5 116.36 16.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.653 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.6 m-85 -100.58 137.15 39.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.5 t -137.42 129.6 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.599 HD23 ' CG2' ' A' ' 23' ' ' THR . 23.5 tp -103.39 113.66 27.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.796 HG22 ' HA ' ' A' ' 22' ' ' VAL . 23.4 t -141.21 132.49 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 t70 60.34 54.77 3.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.556 ' HA ' ' HB1' ' A' ' 118' ' ' ALA . 26.2 mtt85 46.07 25.57 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.511 ' O ' HD12 ' A' ' 46' ' ' LEU . 63.1 m -129.68 156.11 44.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.653 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.3 tt -106.33 130.82 54.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 42.3 m-85 -133.5 119.34 19.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.58 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 48.0 p90 -107.3 125.12 50.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.978 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.5 ' CE2' HG12 ' A' ' 62' ' ' ILE . 76.8 m-85 -108.29 143.0 37.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.585 ' HB3' HD11 ' A' ' 63' ' ' LEU . 11.1 pttp -43.91 -34.01 1.53 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -143.2 -175.41 4.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 13.8 pt-20 -83.37 41.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -101.11 -31.33 11.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' HA ' ' CG ' ' A' ' 54' ' ' TYR . 41.2 mt-10 54.5 51.06 14.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -115.32 -61.03 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -105.56 115.95 31.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.5 HG12 ' CE2' ' A' ' 54' ' ' TYR . 32.7 mt -78.94 121.89 33.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.585 HD11 ' HB3' ' A' ' 55' ' ' LYS . 38.6 mt -81.6 -39.4 24.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' HA3' ' CE1' ' A' ' 53' ' ' TYR . . . -155.4 139.44 6.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 66' ' ' ILE . 15.6 m -121.95 143.54 49.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 65' ' ' SER . 19.8 mt -140.11 120.4 9.09 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.646 0.736 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 96.81 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.335 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.602 HD11 ' HB2' ' A' ' 51' ' ' LEU . 84.5 mt -67.8 -31.41 71.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' CD1' HG22 ' A' ' 121' ' ' VAL . 9.2 tp -50.89 -16.93 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.576 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 4.5 m -117.29 37.86 3.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -142.13 174.71 10.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 29.0 ttm180 -133.07 90.77 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.705 HG21 ' HB3' ' A' ' 115' ' ' MET . 13.4 t -68.42 139.35 20.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.07 139.02 4.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.08 141.68 49.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.925 HG22 ' O ' ' A' ' 87' ' ' THR . 6.1 m -57.41 -176.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.45 ' CD ' ' HD2' ' A' ' 78' ' ' PRO . 2.1 mm100 -110.62 161.99 22.45 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.565 0.698 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.45 ' HD2' ' CD ' ' A' ' 77' ' ' GLN . 53.7 Cg_endo -69.77 -4.84 14.85 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.1 t -133.11 31.96 3.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -89.94 167.95 12.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -84.83 52.99 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 21.4 mm -133.61 103.89 5.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 t -45.12 -46.61 11.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.825 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 35.7 mtt85 -61.97 175.29 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.8 mttm -113.0 -62.14 1.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.41 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 10.1 m-70 -74.3 71.91 1.76 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.925 ' O ' HG22 ' A' ' 76' ' ' VAL . 16.7 m -128.53 146.75 50.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 3.8 p90 -138.03 139.23 39.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -122.58 145.81 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 97' ' ' THR . . . -104.18 128.23 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -119.0 131.54 56.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 70' ' ' SER . 10.9 t-160 -100.58 -15.41 17.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 59.3 41.06 20.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -164.54 -33.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.466 HG12 ' HD2' ' A' ' 96' ' ' ARG . 6.8 t -117.72 -65.47 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.775 0.322 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.466 ' HD2' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -168.37 -179.9 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 90' ' ' ALA . 43.4 m -126.58 112.99 16.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 15.2 m-85 -85.23 153.0 22.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 18.7 m-85 -121.0 145.51 47.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 39.2 m-85 -147.43 118.61 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -91.92 165.63 13.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.799 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -139.58 131.95 28.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -50.2 -52.9 31.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 m -116.59 159.33 40.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.695 0.759 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.41 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.7 Cg_endo -69.76 -26.49 27.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.349 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.59 -34.31 77.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -77.44 -39.85 45.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -56.42 -53.06 61.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.493 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.5 pt-20 -62.04 -48.63 79.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.493 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.28 -45.08 80.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.565 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 33.1 m95 -59.72 -44.65 93.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.25 -43.54 90.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -50.75 -44.22 58.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.65 -57.04 3.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.705 ' HB3' HG21 ' A' ' 73' ' ' VAL . 7.1 mtt -56.69 -64.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -37.94 -53.69 1.99 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -65.13 -53.73 40.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.887 0.375 . . . . 0.0 110.918 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 49' ' ' ARG . . . -59.76 -13.46 10.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.067 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -98.6 -38.35 9.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 13.3 ptp180 -75.35 143.9 42.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 69' ' ' LEU . 47.6 t -103.06 84.13 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m -156.0 142.69 18.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.829 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 p -158.17 116.17 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.58 106.03 1.64 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -93.49 110.1 21.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.1 p -85.49 169.69 13.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.812 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.46 -149.8 10.91 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.39 128.18 3.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.529 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -70.69 -48.1 56.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.6 mtt85 -108.69 99.2 8.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.8 p -80.78 137.02 36.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -74.01 -47.71 35.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 t -173.67 156.31 2.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 98.5 mmm -59.49 118.47 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.02 157.22 40.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HD2' ' CD2' ' A' ' 52' ' ' PHE . 21.1 ttt-85 -116.97 145.23 43.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -108.74 142.7 26.03 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.941 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -38.18 8.34 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -61.58 -39.86 92.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.82 133.7 28.3 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.692 . . . . 0.0 111.089 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 130.92 20.18 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.724 2.282 . . . . 0.0 112.321 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.8 ' HA ' HG22 ' A' ' 47' ' ' VAL . 99.2 t -66.93 116.27 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.538 ' CG2' HD23 ' A' ' 46' ' ' LEU . 24.9 m -64.84 -63.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.559 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 32.0 tttp -155.25 133.54 11.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.14 140.54 49.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.071 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.9 152.57 14.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.502 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 91.6 m95 -72.58 111.87 8.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.909 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -118.48 172.82 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -115.35 114.7 25.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -99.12 108.66 21.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.463 ' HG3' ' CE2' ' A' ' 39' ' ' TRP . 3.7 tt0 -56.99 130.42 45.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.14 150.16 38.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.8 t -117.52 -62.5 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.2 t -84.49 84.27 7.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 149.81 -152.66 24.56 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.624 HG13 ' HG2' ' A' ' 38' ' ' GLN . 7.2 p -69.81 138.09 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 111.144 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -66.91 97.78 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.624 ' HG2' HG13 ' A' ' 36' ' ' VAL . 9.7 pt20 -162.56 165.15 26.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.463 ' CE2' ' HG3' ' A' ' 31' ' ' GLN . 63.1 m95 -101.36 133.93 45.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -108.64 107.08 17.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 53.3 tttt -72.31 119.93 17.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.0 mmt-85 -140.87 159.38 42.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.502 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 38.6 t-105 -74.27 116.89 15.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.831 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.0 m-85 -101.68 137.99 39.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.3 t -139.46 129.11 29.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.083 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.538 HD23 ' CG2' ' A' ' 23' ' ' THR . 18.9 tp -103.72 114.06 28.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.8 HG22 ' HA ' ' A' ' 22' ' ' VAL . 20.5 t -140.94 132.42 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t70 63.17 53.2 2.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 46.83 29.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.497 ' O ' HD12 ' A' ' 46' ' ' LEU . 4.6 t -136.03 152.85 51.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.831 HD21 ' CD2' ' A' ' 44' ' ' PHE . 1.9 tt -99.34 137.81 37.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.564 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 38.1 m-85 -138.93 119.21 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.452 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 19.8 p90 -107.14 124.33 49.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.552 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 79.0 m-85 -104.29 160.9 14.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.934 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HB3' HD11 ' A' ' 63' ' ' LEU . 21.7 pttt -58.2 -38.86 77.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -150.36 178.62 8.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -61.19 -14.17 23.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.4 mttm -65.18 -29.59 70.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.552 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 27.8 mt-10 52.49 46.6 26.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -62.04 -53.94 48.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 t -150.41 137.59 19.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.418 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 73.4 mt -64.94 116.14 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 55' ' ' LYS . 78.2 mt -72.99 -39.64 65.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.47 142.74 8.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 t -114.72 151.81 33.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 71.8 mt -145.62 117.0 5.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 123.29 9.98 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.716 2.277 . . . . 0.0 112.334 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.642 HD11 HD12 ' A' ' 51' ' ' LEU . 64.6 mt -96.12 -23.79 16.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' O ' HD12 ' A' ' 69' ' ' LEU . 8.2 tp -53.73 -14.56 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -104.17 -26.14 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.544 ' CG ' ' HB2' ' A' ' 92' ' ' HIS . 17.9 m-85 -86.27 168.45 13.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.42 ' HE ' ' CG ' ' A' ' 91' ' ' GLU . 13.0 ptt180 -130.24 70.15 1.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.663 HG21 ' HB3' ' A' ' 115' ' ' MET . 95.3 t -36.56 149.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.02 127.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -45.03 146.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.823 HG22 ' O ' ' A' ' 87' ' ' THR . 9.9 m -57.87 167.57 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -102.0 157.9 32.81 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 2.68 3.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.0 m -127.3 25.2 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -97.88 161.27 13.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -86.26 38.89 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.406 ' O ' HG22 ' A' ' 82' ' ' ILE . 37.9 mm -112.28 84.84 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.0 t -49.82 -44.61 49.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.824 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.7 mtt-85 -50.86 154.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.437 ' HD3' ' NE2' ' A' ' 86' ' ' HIS . 3.7 ptpt -103.91 163.74 12.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.437 ' NE2' ' HD3' ' A' ' 85' ' ' LYS . 3.9 m-70 52.57 50.93 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.823 ' O ' HG22 ' A' ' 76' ' ' VAL . 51.6 m -115.07 148.92 38.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -139.63 138.88 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.58 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -119.02 146.96 44.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -109.89 120.61 43.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.06 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' CG ' ' HE ' ' A' ' 72' ' ' ARG . 3.0 pt-20 -107.47 138.26 44.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.544 ' HB2' ' CG ' ' A' ' 71' ' ' PHE . 6.6 t-160 -134.55 78.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -33.4 93.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 152.62 -31.61 0.84 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.28 -75.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.771 0.32 . . . . 0.0 111.109 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -171.83 -174.98 1.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.9 m -122.08 107.85 12.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -79.93 154.81 28.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.58 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 24.7 m-85 -124.06 145.42 49.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -147.74 117.9 7.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.6 t -96.88 162.77 13.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 108' ' ' GLN . . . -136.14 133.37 37.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -52.83 -50.2 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 m -118.7 158.27 47.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.677 0.751 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.405 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.6 Cg_endo -69.74 -17.72 37.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -71.57 -35.91 70.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -76.81 -47.12 22.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.437 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 17.9 tt0 -51.26 -63.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.6 pt-20 -53.45 -49.66 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.514 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -57.31 -36.26 70.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.092 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.559 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 31.0 m95 -67.5 -48.15 67.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 95.0 mt -55.8 -38.84 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -53.09 -46.74 68.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.98 -55.01 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.663 ' HB3' HG21 ' A' ' 73' ' ' VAL . 4.2 mtt -58.41 -62.5 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -39.74 -50.69 3.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -68.28 -56.9 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.4 -24.72 8.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -83.07 -41.45 18.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 31.5 mtp85 -39.17 158.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 t -97.49 -16.72 7.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -155.59 168.87 25.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -123.45 141.37 52.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.15 63.67 0.56 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -158.19 115.17 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 t -152.6 150.94 30.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.3 -93.97 0.1 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.74 156.27 16.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -161.18 140.4 10.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.323 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -57.14 122.7 13.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.0 t -63.91 102.19 0.45 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.2 t-160 -120.86 -56.79 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.4 m -109.67 131.87 54.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 60.0 mmm -108.97 116.87 32.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -127.63 160.63 31.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.723 ' NE ' HG21 ' A' ' 47' ' ' VAL . 10.7 ttt180 -101.84 116.16 32.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -67.18 141.89 96.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.651 0.739 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -40.54 5.17 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.277 . . . . 0.0 112.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -60.51 -40.77 92.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.17 129.02 40.36 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.543 0.687 . . . . 0.0 111.148 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 131.16 20.67 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.722 2.282 . . . . 0.0 112.335 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.803 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.6 p -69.15 114.07 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.8 m -59.86 -63.72 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.571 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 9.1 tttm -146.24 145.24 30.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.789 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -133.75 138.55 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.75 141.98 5.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.552 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 62.5 m95 -71.45 107.73 4.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.51 HD11 ' CE2' ' A' ' 111' ' ' TRP . 46.0 mt -113.93 178.63 4.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 41' ' ' LYS . 19.6 m-85 -120.29 136.73 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.9 tttt -113.8 121.6 44.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -67.68 139.2 56.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HB2' ' HG2' ' A' ' 38' ' ' GLN . . . -70.41 -74.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.5 t -169.0 -176.44 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' GLY . 96.5 p -53.89 -35.8 61.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' SER . . . -33.88 -91.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.547 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.459 ' O ' ' C ' ' A' ' 37' ' ' LYS . 33.7 m -111.68 9.2 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 111.102 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' C ' ' O ' ' A' ' 36' ' ' VAL . 3.4 ptpt 32.73 54.09 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.436 ' HG2' ' HB2' ' A' ' 32' ' ' ALA . 15.1 pt20 -74.49 -174.99 2.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.664 ' CD1' ' CZ ' ' A' ' 84' ' ' ARG . 88.8 m95 -143.61 105.01 4.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -95.17 106.26 18.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 29' ' ' PHE . 35.6 tttt -59.76 123.76 17.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -145.06 154.12 42.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.789 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 49.0 t-105 -72.77 121.13 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.458 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -103.83 146.05 29.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -147.74 128.59 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.091 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 50' ' ' CYS . 25.1 tp -103.31 113.18 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.803 HG22 ' HA ' ' A' ' 22' ' ' VAL . 36.9 t -141.36 133.69 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.107 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t70 57.61 54.96 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.6 mtt-85 45.7 27.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.41 ' O ' HD12 ' A' ' 46' ' ' LEU . 52.8 m -132.83 149.02 52.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.722 HD12 HD11 ' A' ' 68' ' ' LEU . 3.8 tt -101.4 129.24 47.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.513 ' CD2' ' HB2' ' A' ' 16' ' ' ARG . 30.1 m-85 -130.93 119.56 22.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 40.2 p90 -106.66 125.76 51.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.484 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 96.5 m-85 -110.72 147.08 35.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.702 ' HB3' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -54.36 -29.21 47.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.447 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 4.0 p30 -146.53 167.26 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.23 -13.05 46.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -59.02 -36.85 75.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 60.88 51.83 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.81 -49.9 13.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 t -145.87 137.91 25.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.484 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 61.2 mt -72.19 118.77 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 55' ' ' LYS . 65.3 mt -72.9 -44.13 61.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.5 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -155.03 124.96 1.6 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.2 p -99.24 140.04 33.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 76.7 mt -138.51 118.09 9.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.647 0.737 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 126.01 12.84 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.722 HD11 HD12 ' A' ' 51' ' ' LEU . 80.2 mt -101.41 -23.43 14.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.974 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.409 ' O ' HD12 ' A' ' 69' ' ' LEU . 5.2 tp -57.06 -12.19 1.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.59 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 19.9 m -119.88 34.06 5.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -137.85 175.11 9.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 91' ' ' GLU . 60.1 ttm-85 -134.91 84.97 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.808 HG21 ' HB3' ' A' ' 115' ' ' MET . 46.8 t -56.51 143.68 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.29 135.43 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.28 137.5 57.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.074 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 87' ' ' THR . 5.9 m -46.54 153.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -87.1 157.9 53.39 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.595 0.712 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 2.14 3.82 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.299 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.2 p -109.22 -16.88 13.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -53.45 169.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -113.64 33.66 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 12.9 mm -88.92 103.65 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 71.6 m -40.73 -39.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.823 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.664 ' CZ ' ' CD1' ' A' ' 39' ' ' TRP . 27.5 mtt85 -62.82 178.13 0.49 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 5.1 mtmp? -119.17 -64.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.6 m-70 -77.19 81.08 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.493 ' O ' ' NE2' ' A' ' 108' ' ' GLN . 52.1 m -130.79 157.56 42.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 4.1 p90 -144.84 131.21 19.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 16.9 pttt -112.8 137.04 51.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -104.99 122.21 45.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 72' ' ' ARG . 3.0 pt-20 -118.72 151.3 38.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 70' ' ' SER . 13.7 t-80 -120.98 1.48 10.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 45.35 47.42 10.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 177.2 -30.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.487 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.433 HG23 ' ND1' ' A' ' 92' ' ' HIS . 25.1 t -108.88 -70.3 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.527 ' CG ' ' N ' ' A' ' 97' ' ' THR . 15.3 ttm180 -172.44 165.2 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.527 ' N ' ' CG ' ' A' ' 96' ' ' ARG . 28.3 m -116.17 106.31 13.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -86.94 163.86 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 34.2 m-85 -127.59 153.39 46.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 78.2 m-85 -155.46 122.63 5.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 t -98.51 159.68 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.842 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 108' ' ' GLN . . . -133.54 121.04 21.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -39.88 -50.43 2.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -115.91 157.08 45.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.659 0.742 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.79 -19.87 35.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.367 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -75.04 -33.29 61.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -72.49 -48.75 38.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 15.7 tt0 -51.79 -58.39 6.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.522 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.2 pt-20 -55.87 -49.86 72.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.522 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.0 -43.88 73.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 39.4 m95 -61.18 -58.23 9.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 116' ' ' GLY . 85.4 mt -41.54 -38.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -56.09 -44.89 79.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.0 -47.02 14.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.052 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.808 ' HB3' HG21 ' A' ' 73' ' ' VAL . 8.9 mtt -68.9 -63.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -42.93 -44.57 5.73 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -73.24 -61.89 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.845 0.355 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.14 -29.86 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 120' ' ' ARG . . . -66.25 -45.17 81.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' ALA . 17.9 mtp85 -34.55 129.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.4 ' HA ' ' CD1' ' A' ' 69' ' ' LEU . 13.4 p -95.24 -13.86 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 48.6 tp60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -151.64 172.6 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.899 0.38 . . . . 0.0 110.87 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -78.01 124.75 28.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.22 145.3 8.04 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -83.47 165.35 19.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -98.64 132.54 43.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.54 -98.33 0.14 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.54 149.91 7.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -65.93 171.67 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 9' ' ' LYS . 92.1 mtt180 -35.54 146.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.3 t -83.77 -58.17 2.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -142.01 131.35 23.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.5 t -143.76 108.81 4.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 74.3 mmm -82.81 169.32 16.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -173.9 160.19 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.788 ' HE ' HG21 ' A' ' 47' ' ' VAL . 37.6 ttt-85 -89.67 140.39 29.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.41 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 88.6 m-20 -79.34 151.05 74.76 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.719 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -39.69 6.17 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -97.55 41.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -109.15 122.99 38.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.56 0.695 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 131.3 20.9 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.34 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.887 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.5 p -67.88 114.57 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.2 m -64.37 -56.33 15.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.155 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.534 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 40.4 tttp -155.25 132.33 10.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.922 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -124.11 143.77 50.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.09 140.65 3.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.454 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 72.3 m95 -71.18 112.4 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 0.0 110.918 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.0 mt -117.96 173.94 6.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -109.6 127.54 54.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.2 tttp -103.29 109.12 20.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.495 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 7.2 tt0 -55.06 140.0 39.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.93 173.66 4.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 94.2 p -80.67 169.75 17.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -47.88 142.21 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 113.25 -71.83 0.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.484 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 8.0 p -95.54 144.26 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -107.4 90.64 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -150.94 158.27 43.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.495 ' CZ2' ' HG3' ' A' ' 31' ' ' GLN . 80.9 m95 -117.77 126.48 52.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -99.79 115.88 30.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -81.03 117.25 21.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -138.75 162.25 35.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.922 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 47.5 t-105 -75.32 115.82 15.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.469 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.4 m-85 -102.1 134.15 45.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.412 ' CG2' ' NE1' ' A' ' 43' ' ' TRP . 37.9 t -138.57 131.04 38.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.588 HD12 ' O ' ' A' ' 50' ' ' CYS . 24.7 tp -103.37 113.33 26.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.887 HG22 ' HA ' ' A' ' 22' ' ' VAL . 76.4 t -140.4 135.86 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 60.2 53.32 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.516 ' HG3' ' HB1' ' A' ' 118' ' ' ALA . 23.9 ttp180 45.35 31.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.588 ' O ' HD12 ' A' ' 46' ' ' LEU . 11.5 m -138.4 155.19 48.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.7 tt -100.68 131.3 46.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.949 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.409 ' N ' HD23 ' A' ' 51' ' ' LEU . 24.8 m-85 -131.43 119.39 21.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 42.2 p90 -105.98 123.08 47.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -109.77 164.47 12.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -63.37 -35.2 79.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -153.95 -177.68 6.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -64.47 -17.42 63.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -58.58 -38.54 78.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 57.01 49.68 13.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -65.89 -44.89 83.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 m -155.16 146.25 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.696 HD11 ' HB3' ' A' ' 16' ' ' ARG . 61.4 mt -73.08 115.26 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 18.4 mt -72.5 -35.59 68.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.407 ' HA3' ' CE1' ' A' ' 53' ' ' TYR . . . -166.21 129.99 2.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.438 ' C ' HG13 ' A' ' 66' ' ' ILE . 77.3 p -103.57 150.37 24.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.833 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.438 HG13 ' C ' ' A' ' 65' ' ' SER . 68.1 mt -147.46 115.36 4.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 117.12 4.9 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' A' ' 51' ' ' LEU . 33.7 mt -86.27 -27.71 24.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.0 tp -50.52 -16.93 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.429 ' HB2' ' NE2' ' A' ' 92' ' ' HIS . 15.5 p -104.7 -23.5 13.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.961 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 18.0 m-85 -87.58 163.44 16.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.449 ' NH1' ' OE2' ' A' ' 91' ' ' GLU . 3.1 ptm180 -128.39 70.82 1.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' A' ' 115' ' ' MET . 51.3 t -40.02 145.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.99 130.68 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -43.73 167.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 87' ' ' THR . 0.1 OUTLIER -88.36 -175.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -125.28 154.87 72.04 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.41 5.65 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.4 m -106.18 -2.58 22.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.79 165.64 14.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -88.18 48.47 1.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.552 HG13 HG11 ' A' ' 76' ' ' VAL . 30.8 mm -94.57 129.49 44.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.3 m -80.3 -37.7 32.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -84.17 153.69 23.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 6.0 mtpp -81.28 -63.72 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.428 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 4.4 m-70 -78.94 84.81 4.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.604 ' O ' HG22 ' A' ' 76' ' ' VAL . 23.8 m -130.17 159.2 37.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.491 ' N ' HG22 ' A' ' 87' ' ' THR . 2.7 p90 -153.32 132.82 12.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.545 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.34 146.41 43.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.538 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -110.91 139.39 46.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.449 ' OE2' ' NH1' ' A' ' 72' ' ' ARG . 8.8 pm0 -131.76 156.89 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.594 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 23.6 t-160 -116.92 -0.26 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.806 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 54.6 49.18 18.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.65 -41.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 68.5 t -91.93 -74.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.57 ' HD2' ' CE2' ' A' ' 98' ' ' TYR . 17.8 ptp180 -165.64 -177.51 4.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 37.2 m -130.16 109.19 10.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.174 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.57 ' CE2' ' HD2' ' A' ' 96' ' ' ARG . 26.5 m-85 -85.17 153.94 22.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.562 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 34.1 m-85 -120.47 150.31 41.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.562 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 36.9 m-85 -154.2 116.42 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.1 t -104.17 157.73 16.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.44 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.45 -42.44 83.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.1 m -118.77 152.92 52.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.72 0.771 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.428 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.76 -21.35 33.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -72.4 -16.92 61.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -92.39 -50.71 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -50.54 -54.09 25.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.1 pt-20 -58.99 -50.16 75.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.521 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -58.21 -35.1 71.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.069 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.534 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.5 m95 -70.87 -42.16 70.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 116' ' ' GLY . 92.3 mt -61.4 -40.37 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -53.46 -46.72 70.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.21 -52.74 8.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.815 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.9 mtt -63.29 -61.48 2.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -45.16 -50.23 9.54 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -67.28 -52.46 40.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.868 0.366 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.516 ' HB1' ' HG3' ' A' ' 49' ' ' ARG . . . -56.75 -23.71 44.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.063 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.961 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -80.6 -32.93 36.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.066 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 21.5 ptt180 -43.33 135.19 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.3 p -118.91 -13.26 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.9 t -124.63 86.25 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -160.95 153.93 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.14 -174.96 45.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.446 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 p -144.69 127.29 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.923 0.392 . . . . 0.0 110.855 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -68.19 119.7 13.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.3 146.05 37.0 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.53 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.57 -61.34 0.77 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.525 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -168.98 154.48 6.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -86.01 -61.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 97.1 p -167.05 116.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.806 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -104.94 147.45 27.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 p -80.59 151.69 28.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.469 ' HE2' ' HD3' ' A' ' 67' ' ' PRO . 50.6 mtm -112.49 173.33 6.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -143.52 148.72 36.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.568 ' HD2' ' CD2' ' A' ' 52' ' ' PHE . 34.2 ttt-85 -109.73 145.14 37.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -104.7 141.57 22.81 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.62 0.724 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -41.77 3.95 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -58.68 -40.37 83.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.39 130.85 18.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 0.0 111.095 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 134.2 27.36 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.653 2.236 . . . . 0.0 112.348 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.773 ' HA ' HG22 ' A' ' 47' ' ' VAL . 88.9 t -68.91 115.86 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.149 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.475 ' CG2' HD23 ' A' ' 46' ' ' LEU . 3.9 m -66.76 -60.44 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.564 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 48.2 tttp -147.19 145.86 29.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -140.18 127.84 21.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.14 148.07 10.89 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.583 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 71.7 m95 -72.2 113.4 9.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.847 0.356 . . . . 0.0 110.946 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.0 mt -116.2 171.93 7.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -117.12 121.64 41.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -107.75 114.28 28.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -56.24 148.56 18.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.33 102.5 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.9 m -71.35 -51.71 22.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.6 m -84.47 162.84 19.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 52.87 -140.61 30.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.487 HG22 ' N ' ' A' ' 37' ' ' LYS . 10.6 p -59.14 160.6 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 111.163 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' N ' HG22 ' A' ' 36' ' ' VAL . 15.2 pttp -114.66 97.53 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -161.33 132.33 5.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.451 ' CD1' ' NH1' ' A' ' 84' ' ' ARG . 82.7 m95 -58.78 116.27 3.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -95.04 117.04 29.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -78.11 114.21 16.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -134.45 160.01 39.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 42.3 t-105 -77.92 116.31 18.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.507 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.7 m-85 -100.55 147.32 26.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.3 t -148.28 138.13 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.475 HD23 ' CG2' ' A' ' 23' ' ' THR . 24.5 tp -110.98 113.25 25.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.773 HG22 ' HA ' ' A' ' 22' ' ' VAL . 15.2 t -142.31 136.56 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 57.45 53.63 7.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.693 ' HG3' ' HB1' ' A' ' 118' ' ' ALA . 11.9 ttm180 45.73 27.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 69.5 m -134.15 149.55 51.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.653 HD12 HD11 ' A' ' 68' ' ' LEU . 3.8 tt -98.61 137.17 37.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.568 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 45.2 m-85 -137.98 119.77 15.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.574 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 37.8 p90 -104.69 121.75 44.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.501 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 79.7 m-85 -103.72 163.65 12.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.943 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -61.25 -32.24 72.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -162.11 -176.13 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -59.2 -30.43 68.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -47.38 -34.24 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.499 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 33.5 mt-10 53.8 46.23 26.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -60.34 -60.09 4.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 t -148.52 141.72 25.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.501 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 96.4 mt -66.64 126.53 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 59.2 mt -82.5 -38.61 23.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.01 139.66 6.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.435 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.7 p -114.28 141.56 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 31.9 mt -139.7 122.25 10.2 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.469 ' HD3' ' HE2' ' A' ' 14' ' ' MET . 54.7 Cg_endo -69.7 124.6 11.27 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.716 2.277 . . . . 0.0 112.378 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.653 HD11 HD12 ' A' ' 51' ' ' LEU . 28.4 mt -94.78 -25.56 16.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.757 HD23 ' N ' ' A' ' 70' ' ' SER . 0.5 OUTLIER -58.93 -9.9 2.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.757 ' N ' HD23 ' A' ' 69' ' ' LEU . 1.8 t -117.78 25.79 10.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.475 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 29.9 m-85 -137.64 159.03 43.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -116.0 76.04 0.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.2 t -49.12 146.22 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.27 156.56 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.068 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.26 163.59 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.523 HG11 HG13 ' A' ' 82' ' ' ILE . 1.8 m -78.12 167.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -113.88 159.5 35.71 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.557 0.694 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 -4.25 13.7 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 89.4 p -104.9 -16.21 14.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.0 164.62 25.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -83.89 47.37 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.523 HG13 HG11 ' A' ' 76' ' ' VAL . 48.6 mm -121.64 111.38 30.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.7 m -70.66 -40.74 72.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.451 ' NH1' ' CD1' ' A' ' 39' ' ' TRP . 29.0 mtt85 -50.05 178.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.3 mttp -116.5 -68.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.414 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.8 m-70 -75.76 72.3 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.474 ' HB ' HG21 ' A' ' 76' ' ' VAL . 34.6 m -126.39 157.86 37.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.474 ' N ' HG22 ' A' ' 87' ' ' THR . 2.5 p90 -150.93 131.94 14.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.71 146.59 43.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 97' ' ' THR . . . -107.13 148.4 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' HG3' ' N ' ' A' ' 92' ' ' HIS . 2.5 tt0 -142.61 150.45 40.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.549 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 3.4 t-80 -116.13 -22.46 8.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 74.77 49.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 175.84 -26.66 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.465 HG23 ' ND1' ' A' ' 92' ' ' HIS . 52.6 t -113.15 -66.64 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.816 0.341 . . . . 0.0 111.127 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.501 ' NH1' ' CE1' ' A' ' 98' ' ' TYR . 7.8 ptm180 -174.3 179.66 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 90' ' ' ALA . 82.2 m -126.49 106.88 9.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.501 ' CE1' ' NH1' ' A' ' 96' ' ' ARG . 53.2 m-85 -78.94 154.68 29.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.586 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 36.5 m-85 -122.78 151.7 41.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.586 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 36.4 m-85 -152.65 119.28 5.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.9 t -104.85 141.99 35.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.562 ' HB3' ' HB2' ' A' ' 108' ' ' GLN . . . -116.77 133.95 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -52.06 -54.2 33.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.0 m -110.51 157.48 38.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.874 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.414 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.79 -18.4 36.88 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.673 2.249 . . . . 0.0 112.326 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -72.26 -37.74 69.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.35 -38.26 56.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . 15.8 tt0 -59.97 -57.28 13.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.6 pt-20 -57.31 -47.75 80.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.97 -52.14 66.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.123 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.564 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 25.7 m95 -51.22 -44.03 61.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 116' ' ' GLY . 78.9 mt -62.3 -38.01 80.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -56.53 -47.87 78.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.98 -51.58 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 6.7 mtt -64.03 -61.82 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -39.59 -51.02 3.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -62.74 -61.12 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.886 0.374 . . . . 0.0 110.947 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.693 ' HB1' ' HG3' ' A' ' 49' ' ' ARG . . . -50.73 -25.75 4.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -78.67 -46.4 19.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -41.15 159.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.567 ' O ' HG12 ' A' ' 121' ' ' VAL . 22.2 t -133.51 45.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -159.56 172.43 17.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.373 . . . . 0.0 110.871 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 m -88.5 93.51 9.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.86 -121.64 3.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.444 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 p -42.31 117.06 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -151.41 139.83 20.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.81 147.37 18.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.99 118.27 3.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -42.8 121.14 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -57.15 -62.27 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.2 t -137.88 144.23 41.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 53.6 t60 -77.87 -50.01 13.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.2 m -97.45 164.05 12.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.8 mtp -59.32 134.54 57.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp -135.54 168.95 18.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.886 ' HB3' HD11 ' A' ' 62' ' ' ILE . 13.5 ttt180 -124.33 145.56 49.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.448 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 43.7 m-80 -95.33 142.16 24.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -40.35 5.39 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -59.82 -41.8 92.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.37 126.07 15.92 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.521 0.677 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 131.28 20.94 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.685 2.256 . . . . 0.0 112.304 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.853 ' HA ' HG22 ' A' ' 47' ' ' VAL . 85.9 t -66.27 117.67 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.122 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.0 m -64.85 -58.3 6.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.5 tttp -148.89 134.47 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.628 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -127.16 149.6 49.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.4 142.08 3.56 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.572 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 60.5 m95 -70.68 105.87 3.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.821 0.343 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' A' ' 111' ' ' TRP . 47.0 mt -105.81 175.02 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 29' ' ' PHE . 1.9 m-85 -125.46 108.28 11.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HG3' ' CE1' ' A' ' 100' ' ' PHE . 21.7 ttpp -93.49 114.3 26.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -44.86 141.62 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.33 124.89 5.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.9 t -95.83 -51.37 4.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.823 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.3 p -134.94 103.42 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.18 -141.33 9.52 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.448 HG23 ' HG2' ' A' ' 38' ' ' GLN . 17.3 m -70.41 177.89 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.845 0.355 . . . . 0.0 111.175 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -99.98 93.9 6.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.448 ' HG2' HG23 ' A' ' 36' ' ' VAL . 9.7 pt20 -174.26 133.06 0.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -61.9 146.87 48.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -124.49 110.33 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HE2' ' CE3' ' A' ' 27' ' ' TRP . 3.7 ttpm? -73.29 124.27 25.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -139.85 157.85 45.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.628 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 43.8 t-105 -72.09 112.5 8.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.749 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.33 137.68 38.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.408 HG13 HG13 ' A' ' 22' ' ' VAL . 53.8 t -139.64 131.08 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 50' ' ' CYS . 44.4 tp -103.24 113.18 26.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.853 HG22 ' HA ' ' A' ' 22' ' ' VAL . 54.3 t -140.41 135.46 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.0 t70 56.51 53.93 8.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 45.5 34.05 1.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.544 ' O ' HD12 ' A' ' 46' ' ' LEU . 35.9 t -138.93 150.14 45.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.749 HD21 ' CD2' ' A' ' 44' ' ' PHE . 3.6 tt -99.15 128.06 45.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CE1' ' SG ' ' A' ' 50' ' ' CYS . 28.9 m-85 -131.02 119.34 21.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.65 ' CE1' HD12 ' A' ' 63' ' ' LEU . 6.6 p90 -105.69 127.27 52.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.478 ' CD2' ' HA ' ' A' ' 59' ' ' GLU . 75.9 m-85 -113.7 140.49 48.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.716 ' N ' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -40.25 -40.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.441 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 2.2 t70 -145.15 -176.7 5.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -65.97 -20.7 66.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -55.78 -42.72 75.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.842 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 33.6 mt-10 62.34 49.29 4.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -60.01 -58.55 8.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -147.8 125.95 12.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.886 HD11 ' HB3' ' A' ' 16' ' ' ARG . 34.4 mt -47.94 111.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.716 HD11 ' N ' ' A' ' 55' ' ' LYS . 15.3 mt -66.27 -49.56 66.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.85 115.8 0.69 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.487 ' OG ' HG21 ' A' ' 62' ' ' ILE . 14.6 m -86.87 138.42 31.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 0.0 110.873 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 48.7 mt -130.17 112.96 17.11 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.652 0.739 . . . . 0.0 111.12 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 121.01 7.71 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.357 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.722 HD11 HD12 ' A' ' 51' ' ' LEU . 30.9 mt -94.01 -26.7 16.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 tp -51.69 -16.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 32.0 p -119.53 42.79 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.51 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 23.4 m-85 -146.52 169.78 18.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -128.64 81.23 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.501 HG21 ' HB3' ' A' ' 115' ' ' MET . 45.9 t -56.54 146.32 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.76 133.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -42.31 164.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.449 HG21 ' HB ' ' A' ' 87' ' ' THR . 3.8 m -86.16 164.72 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -114.0 158.86 38.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 1.54 4.33 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.666 2.244 . . . . 0.0 112.393 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.0 t -114.65 -4.85 12.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.91 18.29 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.0 m120 52.12 33.48 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.6 mm -97.86 94.26 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.9 p -50.15 -39.26 42.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -63.33 -178.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -127.04 -60.5 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.4 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.9 m-70 -77.92 69.6 4.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 88' ' ' PHE . 98.3 m -131.63 156.56 45.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 0.8 OUTLIER -137.09 131.56 32.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.587 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 0.5 OUTLIER -105.32 132.14 51.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 97' ' ' THR . . . -111.49 137.31 49.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.6 pm0 -137.07 153.51 50.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 70' ' ' SER . 7.6 t-80 -116.57 2.09 12.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 48.5 31.72 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.043 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -158.72 -43.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.527 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.52 HG23 ' ND1' ' A' ' 92' ' ' HIS . 89.1 t -99.93 -64.0 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.808 0.337 . . . . 0.0 111.127 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.496 ' HD3' ' CZ ' ' A' ' 98' ' ' TYR . 9.6 ptm180 -174.13 -175.76 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 90' ' ' ALA . 95.8 m -127.14 114.92 18.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.496 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 61.6 m-85 -89.98 172.04 9.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.587 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 33.9 m-85 -142.04 147.56 37.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.592 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 9.2 m-85 -150.94 124.07 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -102.82 159.75 15.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -126.13 124.03 39.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -49.74 -25.82 3.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.2 p -134.74 156.13 78.86 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.649 0.738 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.4 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.76 -35.29 12.9 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.648 2.232 . . . . 0.0 112.379 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -61.01 -38.04 84.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -69.38 -46.27 67.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -52.06 -62.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.521 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.7 pt-20 -52.27 -50.5 62.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.521 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.34 -42.35 73.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.409 ' CE2' HD11 ' A' ' 28' ' ' LEU . 35.1 m95 -61.21 -57.96 10.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.49 ' O ' ' N ' ' A' ' 116' ' ' GLY . 85.6 mt -44.88 -41.36 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.56 -49.46 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.21 -51.51 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.501 ' HB3' HG21 ' A' ' 73' ' ' VAL . 9.5 mtt -63.56 -62.27 1.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.17 -46.3 8.1 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -70.86 -55.27 8.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.887 0.375 . . . . 0.0 110.84 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.95 -31.63 5.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.063 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -67.5 -47.78 69.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.5 mtt85 -40.49 137.63 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 17.3 t -95.26 -24.64 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 t -136.47 163.63 30.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.828 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 m -141.52 141.53 33.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.92 -156.36 10.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.2 p -156.09 131.49 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.896 0.379 . . . . 0.0 110.882 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -55.14 154.9 5.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.66 66.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.9 78.26 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -135.48 158.68 43.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.764 0.316 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 mmt-85 -112.8 143.84 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 83.9 p -110.03 -47.18 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -44.8 -50.29 10.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.9 t -63.59 139.43 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 47.9 mmm -137.05 149.76 47.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -146.27 170.21 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.665 ' HE ' HG21 ' A' ' 47' ' ' VAL . 46.9 ttt-85 -106.6 137.06 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' HB2' ' HB2' ' A' ' 20' ' ' ALA . 55.5 m-20 -76.08 154.33 84.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -33.51 16.4 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.246 . . . . 0.0 112.34 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -106.85 38.81 1.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' A' ' 17' ' ' ASN . . . -99.24 124.32 45.45 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.591 0.71 . . . . 0.0 111.073 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 140.59 43.28 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.839 ' HA ' HG22 ' A' ' 47' ' ' VAL . 76.6 t -78.72 108.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' LEU . 4.2 m -58.14 -57.13 14.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.519 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 41.0 tttp -156.42 132.13 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.516 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -121.61 149.95 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.22 141.62 3.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.578 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 76.1 m95 -71.75 123.84 23.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.5 mt -129.61 178.42 6.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -119.29 118.44 31.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.7 tttm -98.72 105.27 17.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -51.59 139.68 20.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.96 128.75 34.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.9 t -108.31 -45.43 3.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.9 m -94.2 92.89 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.67 -135.62 8.15 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.8 m -81.33 164.69 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.925 0.393 . . . . 0.0 111.102 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -89.8 109.67 20.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -167.55 -178.56 4.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -117.59 136.44 53.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -119.41 112.15 19.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.2 tttp -77.93 120.4 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -138.06 161.21 37.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.578 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 31.8 t-105 -75.35 115.22 14.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.54 135.3 42.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 23.1 t -138.14 130.47 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 50' ' ' CYS . 27.0 tp -103.34 113.47 26.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.839 HG22 ' HA ' ' A' ' 22' ' ' VAL . 55.1 t -140.03 136.87 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 57.7 54.39 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 46.09 26.26 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.584 ' O ' HD12 ' A' ' 46' ' ' LEU . 4.5 t -132.29 156.21 46.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.697 HD12 HD11 ' A' ' 68' ' ' LEU . 1.9 tt -102.54 136.1 42.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 50' ' ' CYS . 18.7 m-85 -137.24 121.46 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.442 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 50.7 p90 -109.26 123.55 49.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.97 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.517 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 75.9 m-85 -108.54 154.34 22.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.986 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -56.92 -29.21 62.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.449 ' N ' ' HG2' ' A' ' 55' ' ' LYS . 6.3 p30 -150.31 -175.14 4.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -83.0 38.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -102.66 -25.73 13.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 54.4 mt-10 45.15 53.2 8.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -99.34 -54.8 2.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -127.36 115.01 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.517 HG12 ' CZ ' ' A' ' 54' ' ' TYR . 87.3 mt -65.01 116.34 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.419 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 18.2 mt -69.24 -37.49 78.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.442 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -167.2 126.01 1.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.9 p -102.7 128.94 49.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 61.4 mt -117.53 115.75 37.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.641 0.734 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.466 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 54.4 Cg_endo -69.72 119.01 6.03 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.701 2.267 . . . . 0.0 112.38 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.697 HD11 HD12 ' A' ' 51' ' ' LEU . 23.4 mt -94.41 -25.06 17.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 69' ' ' LEU . 9.6 tp -52.23 -15.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.574 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 15.8 p -125.19 40.73 3.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.466 ' CD1' ' O ' ' A' ' 67' ' ' PRO . 17.0 m-85 -140.66 -179.26 5.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -134.99 102.02 5.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.463 HG21 ' HB3' ' A' ' 115' ' ' MET . 16.3 t -87.8 137.18 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.02 143.99 3.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -47.03 158.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 87' ' ' THR . 1.9 m -72.52 174.49 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -114.88 156.56 44.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.4 16.11 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.2 p -105.5 -7.53 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.16 165.0 25.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 81' ' ' ASN . 2.0 p-10 -90.63 55.25 2.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.1 mm -126.87 98.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 p -78.43 1.24 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 56.5 mtt85 -97.62 129.37 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -80.05 152.62 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 69.14 55.06 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.539 ' O ' HG22 ' A' ' 76' ' ' VAL . 55.8 m -123.03 155.41 36.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 6.8 p90 -148.07 138.68 22.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.4 OUTLIER -116.15 146.8 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -123.09 122.13 37.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.703 ' HB3' HG23 ' A' ' 97' ' ' THR . 2.9 pm0 -140.82 136.83 32.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.58 ' HB3' HG22 ' A' ' 95' ' ' VAL . 22.6 t-80 -83.49 -6.49 59.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 69.66 54.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.089 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 166.59 -20.08 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.643 HG23 ' N ' ' A' ' 96' ' ' ARG . 21.4 m -111.86 -56.39 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 111.138 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.643 ' N ' HG23 ' A' ' 95' ' ' VAL . 7.7 ptm180 -176.87 -179.89 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.703 HG23 ' HB3' ' A' ' 91' ' ' GLU . 63.5 m -134.81 104.39 5.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.433 ' CE2' ' HD3' ' A' ' 96' ' ' ARG . 51.8 m-85 -82.49 160.63 22.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.579 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 55.1 m-85 -134.46 147.56 50.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 16.6 m-85 -150.38 122.04 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.8 t -104.84 156.24 18.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -127.53 144.22 51.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.94 -36.87 85.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 84.1 p -124.06 153.26 67.87 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.686 0.755 . . . . 0.0 110.8 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -25.26 28.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.278 . . . . 0.0 112.368 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -70.55 -17.31 62.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -90.9 -46.95 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -53.36 -57.99 8.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.509 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.3 pt-20 -56.82 -49.09 76.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.509 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.55 -43.8 76.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.519 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 36.9 m95 -60.29 -52.92 63.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 67.0 mt -49.8 -44.46 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -49.25 -42.85 41.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.35 -54.79 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.463 ' HB3' HG21 ' A' ' 73' ' ' VAL . 5.5 mtt -58.7 -61.95 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -42.65 -48.86 5.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -67.16 -54.61 19.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.848 0.356 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -54.24 -15.3 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -86.68 -41.76 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 29.7 mtp85 -44.02 162.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.421 ' O ' HG12 ' A' ' 121' ' ' VAL . 41.1 t -123.17 -12.74 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.908 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.6 p -111.35 161.56 15.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -95.2 -46.26 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.4 168.74 12.72 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -126.95 151.3 48.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.855 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m -115.11 120.23 39.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.16 -121.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.35 133.33 7.32 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -134.15 173.46 11.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -118.25 -24.18 7.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.4 m -80.11 120.3 24.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.431 ' H ' ' CD2' ' A' ' 12' ' ' HIS . 8.2 p80 -91.95 152.59 19.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.9 t -156.9 137.26 12.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 86.5 mmm -49.94 119.0 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 pttp -128.43 166.97 17.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 27.6 ttt-85 -128.2 141.67 51.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.8 m-80 -97.77 141.93 23.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.37 7.92 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -59.96 -41.74 92.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.29 129.23 17.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.615 0.721 . . . . 0.0 111.078 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 130.85 20.03 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.843 ' HA ' HG22 ' A' ' 47' ' ' VAL . 86.4 t -66.31 117.35 7.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.9 m -64.23 -52.13 60.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -156.79 139.54 15.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.692 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -132.0 140.65 49.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.07 143.6 6.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.547 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 84.3 m95 -72.75 107.5 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.793 0.33 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.7 mt -112.33 176.03 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -117.1 114.66 24.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.6 tttt -90.97 126.66 36.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.419 ' NE2' HD11 ' A' ' 82' ' ' ILE . 3.1 tt0 -74.22 138.3 43.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.2 118.3 20.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.065 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 p -97.59 -46.24 6.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -87.61 86.83 7.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 126.77 -155.28 19.59 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.467 HG23 ' HG2' ' A' ' 38' ' ' GLN . 34.8 m -48.09 171.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.128 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.8 mttp -106.58 96.33 6.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.467 ' HG2' HG23 ' A' ' 36' ' ' VAL . 27.3 pt20 -152.82 -179.69 7.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -115.1 138.48 50.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -120.31 95.54 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.408 ' C ' ' HG2' ' A' ' 42' ' ' ARG . 77.4 tttt -54.98 123.75 14.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.408 ' HG2' ' C ' ' A' ' 41' ' ' LYS . 11.8 mmt180 -145.27 156.35 43.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.692 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 61.1 t-105 -73.69 115.19 12.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.672 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.4 m-85 -100.53 139.93 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 81.7 t -140.48 131.23 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.087 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.9 tp -103.54 113.78 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.843 HG22 ' HA ' ' A' ' 22' ' ' VAL . 46.7 t -141.07 135.55 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.5 t70 55.53 54.83 7.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 19.1 mtm105 45.7 27.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 5.3 t -131.82 149.1 52.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.672 HD21 ' CD2' ' A' ' 44' ' ' PHE . 2.7 tt -98.17 132.44 43.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 16' ' ' ARG . 40.4 m-85 -135.15 119.22 17.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 31.3 p90 -108.25 127.71 54.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.538 ' CE1' ' HG2' ' A' ' 59' ' ' GLU . 63.4 m-85 -115.5 142.84 46.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HE3' ' CE ' ' A' ' 58' ' ' LYS . 9.6 pttp -44.47 -32.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -148.13 -178.85 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -79.76 44.1 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.481 ' CE ' ' HE3' ' A' ' 55' ' ' LYS . 2.3 ptmm? -103.31 -33.8 9.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.538 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 36.2 mt-10 53.91 45.4 27.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -101.22 -57.78 2.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.0 p -115.25 123.5 48.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 16' ' ' ARG . 73.9 mt -79.05 116.71 23.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.585 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 56.6 mt -77.95 -45.89 22.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.453 ' HA3' ' CE2' ' A' ' 53' ' ' TYR . . . -152.88 136.24 5.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.438 ' C ' HG13 ' A' ' 66' ' ' ILE . 11.7 t -120.71 146.83 46.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 110.858 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.569 ' CD1' ' CZ ' ' A' ' 98' ' ' TYR . 36.6 mt -143.71 123.38 7.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 111.191 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 121.43 8.13 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.712 2.274 . . . . 0.0 112.342 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.559 HD11 HD12 ' A' ' 51' ' ' LEU . 31.0 mt -92.94 -26.16 17.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -53.89 -14.94 1.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.436 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 89.3 p -123.07 42.89 3.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 25.5 m-85 -147.29 155.25 41.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -112.76 80.41 1.34 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.7 t -57.82 135.27 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.58 137.83 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.059 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.53 143.93 18.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 87' ' ' THR . 11.6 m -53.04 154.29 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -87.65 157.68 52.04 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.618 0.723 . . . . 0.0 110.877 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.19 2.93 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 t -127.64 32.05 5.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.827 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -108.03 164.25 12.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -85.78 46.45 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.419 HD11 ' NE2' ' A' ' 31' ' ' GLN . 17.1 mm -124.4 86.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 44.9 p -54.43 -44.69 72.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.82 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -57.22 121.85 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -80.11 163.65 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.431 ' CD2' ' HD3' ' A' ' 105' ' ' PRO . 6.9 m-70 66.71 46.61 1.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.483 HG22 ' N ' ' A' ' 88' ' ' PHE . 72.6 m -118.06 157.04 27.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.483 ' N ' HG22 ' A' ' 87' ' ' THR . 5.2 p90 -148.36 131.3 16.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.588 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -114.34 146.69 40.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.708 ' O ' HG23 ' A' ' 97' ' ' THR . . . -105.8 152.85 22.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 92' ' ' HIS . 1.5 tt0 -147.47 143.61 28.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.591 ' ND1' HG23 ' A' ' 95' ' ' VAL . 4.4 t-80 -109.82 -20.92 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 73.57 41.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.074 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -177.08 -28.29 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.591 HG23 ' ND1' ' A' ' 92' ' ' HIS . 46.1 t -109.91 -65.6 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -174.64 -178.36 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 90' ' ' ALA . 60.4 m -127.72 105.46 8.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.569 ' CZ ' ' CD1' ' A' ' 66' ' ' ILE . 56.3 m-85 -78.87 156.44 28.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 20.1 m-85 -125.41 151.51 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 18.8 m-85 -155.91 116.25 3.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.9 t -95.64 161.28 14.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.08 127.29 30.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -46.73 -50.73 17.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 p -116.6 155.87 48.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.431 ' HD3' ' CD2' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.74 -21.24 33.86 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.688 2.258 . . . . 0.0 112.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -67.59 -31.54 71.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -81.4 -43.09 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -55.32 -51.16 67.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.531 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 5.8 pt-20 -62.71 -50.53 70.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.531 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.71 -49.32 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.149 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -56.13 -51.16 68.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 116' ' ' GLY . 89.6 mt -51.9 -39.54 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -53.71 -45.48 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -81.84 -55.98 4.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 4.0 mtt -58.64 -57.84 11.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -47.32 -51.67 14.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.535 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -63.93 -63.09 1.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -42.61 -29.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -66.33 -43.29 86.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 119' ' ' ALA . 15.0 ptt180 -36.52 151.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.3 t -102.18 87.38 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 m -117.02 94.41 4.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t -65.78 -52.1 53.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.14 145.75 5.18 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -126.29 105.13 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 110.8 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 t -97.27 56.0 1.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.57 73.35 0.24 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -136.85 -57.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.497 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -152.72 105.87 3.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.341 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -74.31 -48.54 27.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.5 p -70.65 144.15 51.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -73.12 172.57 10.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.6 p -152.28 130.59 12.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.497 ' CE ' ' SG ' ' A' ' 50' ' ' CYS . 65.1 mmm -97.72 149.71 21.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.73 175.02 9.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 9.0 ttt-85 -130.7 90.83 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -50.3 141.3 16.23 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.619 0.723 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -41.8 3.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -59.5 -40.13 86.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.66 127.2 13.57 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.572 0.701 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 133.65 26.19 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.39 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.663 ' HA ' HG22 ' A' ' 47' ' ' VAL . 95.3 t -66.14 114.04 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.556 ' CG2' HD23 ' A' ' 46' ' ' LEU . 46.5 m -65.7 -57.96 6.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.138 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.563 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 42.5 tttp -160.31 133.6 6.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.73 147.27 52.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.05 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.93 152.6 10.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 75.8 m95 -72.0 107.02 4.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.84 0.352 . . . . 0.0 110.966 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.477 HD11 ' CE2' ' A' ' 111' ' ' TRP . 29.4 mt -116.2 178.92 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -122.58 131.2 53.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 31' ' ' GLN . 21.9 tttm -108.85 98.48 7.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 30' ' ' LYS . 5.0 tt0 -35.0 141.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.84 169.8 13.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.7 m -124.77 -56.96 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 m -89.88 167.74 12.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.82 -121.44 6.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.8 m -110.74 153.0 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 111.126 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -68.76 98.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -151.49 156.62 40.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 72.0 m95 -94.62 148.98 21.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -116.41 119.84 36.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -82.25 111.25 18.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -133.57 159.89 39.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.9 t-105 -78.28 118.43 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.519 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.6 m-85 -102.79 141.06 36.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -143.0 129.0 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.556 HD23 ' CG2' ' A' ' 23' ' ' THR . 25.6 tp -103.59 113.23 26.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.663 HG22 ' HA ' ' A' ' 22' ' ' VAL . 4.1 t -144.66 136.02 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 t70 59.86 54.74 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.1 mtt85 44.22 27.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.497 ' SG ' ' CE ' ' A' ' 14' ' ' MET . 94.9 m -134.53 152.8 52.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.806 HD12 HD11 ' A' ' 68' ' ' LEU . 3.9 tt -103.6 132.58 49.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 32.1 m-85 -131.43 119.42 21.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 52.1 p90 -105.7 116.44 31.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.521 ' CE2' HG12 ' A' ' 62' ' ' ILE . 70.9 m-85 -102.72 132.3 48.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -37.02 -40.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.893 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.405 ' N ' ' HD2' ' A' ' 55' ' ' LYS . 66.4 m-20 -144.22 -177.43 5.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 11.37 3.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -81.25 -19.67 42.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 48.89 47.34 21.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -72.15 -55.07 7.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.6 m -152.41 138.26 18.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.521 HG12 ' CE2' ' A' ' 54' ' ' TYR . 98.6 mt -70.28 117.54 13.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.544 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 7.2 mt -74.31 -37.75 63.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.98 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.0 143.89 8.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 m -116.4 137.64 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.6 mt -119.45 114.59 34.47 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.604 0.716 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 96.47 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.806 HD11 HD12 ' A' ' 51' ' ' LEU . 61.2 mt -76.11 -19.02 58.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.776 HD23 ' N ' ' A' ' 70' ' ' SER . 0.4 OUTLIER -59.63 -9.42 2.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.776 ' N ' HD23 ' A' ' 69' ' ' LEU . 4.5 p -129.57 38.71 3.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -140.26 161.82 36.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -121.33 87.9 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 115' ' ' MET . 4.3 t -65.52 143.31 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -171.73 132.35 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.95 156.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.091 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 87' ' ' THR . 0.2 OUTLIER -70.53 165.37 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -107.78 160.43 26.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.605 0.717 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -12.87 33.72 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 90.2 p -96.82 -10.49 26.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' A' ' 81' ' ' ASN . 4.5 t0 -65.33 164.72 13.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.827 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.41 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 0.8 OUTLIER -96.19 35.23 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.542 HD11 ' CE2' ' A' ' 99' ' ' PHE . 8.2 mm -99.64 129.46 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 29.2 p -95.06 33.84 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.2 mtp85 -126.21 179.2 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.53 -73.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 2.3 m-70 -78.89 82.41 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 76' ' ' VAL . 54.6 m -131.47 155.78 46.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 2.2 p90 -145.76 131.01 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.573 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -117.57 132.24 56.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.851 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.67 114.84 29.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.857 ' HB3' HG23 ' A' ' 97' ' ' THR . 0.0 OUTLIER -124.61 149.68 46.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.503 ' ND1' HG23 ' A' ' 95' ' ' VAL . 18.7 t-80 -128.39 86.69 2.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.836 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.477 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -31.52 92.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 129.26 -0.58 6.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.463 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 96' ' ' ARG . 25.1 t -131.58 -77.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.172 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.531 ' CG ' ' N ' ' A' ' 97' ' ' THR . 12.7 ttm-85 -176.82 165.23 2.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.857 HG23 ' HB3' ' A' ' 91' ' ' GLU . 16.3 m -112.24 140.34 47.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 89' ' ' LYS . 30.4 m-85 -122.93 168.95 11.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 47.6 m-85 -141.45 149.34 40.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.45 ' HB2' ' CE2' ' A' ' 88' ' ' PHE . 41.7 m-85 -156.11 123.55 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.1 t -98.93 168.82 9.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -142.09 138.93 32.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -59.44 -44.77 92.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.5 m -118.89 153.12 52.48 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.3 Cg_endo -69.82 -21.86 32.61 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.62 2.213 . . . . 0.0 112.345 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.78 -30.4 64.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.77 -44.64 22.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -50.29 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.6 pt-20 -52.21 -48.7 64.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.5 -43.72 72.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.563 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.3 m95 -60.38 -43.1 96.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 116' ' ' GLY . 83.4 mt -62.53 -34.96 67.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -59.89 -41.03 90.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.99 -41.27 18.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.505 ' HB3' HG21 ' A' ' 73' ' ' VAL . 9.9 mtt -73.37 -62.51 1.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -43.4 -40.12 4.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -75.57 -63.15 1.36 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -53.14 -18.83 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.59 ' HB1' ' O ' ' A' ' 68' ' ' LEU . . . -79.56 -34.49 40.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 64.9 mtt180 -45.66 142.1 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 121' ' ' VAL . 6.2 p -120.87 16.0 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.954 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.0 t -144.47 109.55 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -104.99 131.0 53.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.36 159.28 13.06 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -106.12 126.22 51.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.824 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 p -139.86 133.9 30.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.49 -165.17 22.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.42 -62.66 0.46 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -154.34 169.95 22.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.71 0.29 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.4 mtm180 -138.44 119.49 14.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.1 t -99.35 -177.71 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -105.79 -50.28 3.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.8 m -46.08 106.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 41.7 mmm -56.99 128.35 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.79 164.14 36.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.647 ' CB ' HD11 ' A' ' 62' ' ' ILE . 13.3 tpt85 -102.99 118.54 37.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -99.27 137.1 20.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.583 0.706 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -35.93 11.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -63.18 -37.41 87.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 126.77 92.68 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 0.0 111.084 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 142.96 49.45 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.736 2.291 . . . . 0.0 112.307 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.675 ' HA ' HG22 ' A' ' 47' ' ' VAL . 9.4 p -74.18 116.56 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.505 ' CG2' HD23 ' A' ' 46' ' ' LEU . 28.0 m -67.42 -51.71 48.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.543 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 33.8 tttp -162.06 138.7 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.471 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -137.95 150.23 46.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.49 148.26 6.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CD1' ' CE3' ' A' ' 43' ' ' TRP . 76.7 m95 -71.65 112.19 7.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.766 0.317 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 mt -116.78 178.29 4.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 45.0 m-85 -117.86 122.05 42.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.2 tttm -104.15 117.5 34.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.426 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 10.1 tt0 -63.53 140.04 58.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.26 154.82 40.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.1 m -133.02 147.91 52.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.2 m 44.97 40.64 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -170.61 -153.55 8.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 91.6 t -58.31 116.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -64.57 83.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -149.61 149.06 30.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.426 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 78.2 m95 -86.07 125.52 33.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -101.46 110.18 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.485 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 32.3 tttp -74.08 125.2 27.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mmt85 -145.28 165.83 27.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.527 ' CE3' ' CD1' ' A' ' 27' ' ' TRP . 58.3 t-105 -82.18 116.48 21.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.538 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.3 m-85 -101.23 139.01 37.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -140.02 129.4 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.505 HD23 ' CG2' ' A' ' 23' ' ' THR . 16.5 tp -104.43 114.64 29.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.675 HG22 ' HA ' ' A' ' 22' ' ' VAL . 4.4 t -143.45 132.33 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t70 60.88 53.7 3.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 45.11 37.56 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 99.4 m -142.78 149.9 39.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.655 HD12 HD11 ' A' ' 68' ' ' LEU . 2.2 tt -98.54 133.0 43.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -131.21 119.38 21.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.534 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 35.9 p90 -109.74 115.99 30.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.591 ' CE1' HG12 ' A' ' 62' ' ' ILE . 86.1 m-85 -104.09 168.87 8.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 pttt -65.33 -35.47 81.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -157.03 -177.92 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -64.03 -8.59 12.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -63.14 -44.81 94.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 63.22 46.03 4.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -70.08 -46.71 64.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.6 t -151.4 141.88 22.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.647 HD11 ' CB ' ' A' ' 16' ' ' ARG . 86.8 mt -70.97 118.06 15.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.096 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 46.5 mt -75.76 -32.66 60.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.534 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -174.48 130.9 1.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 9.2 m -109.32 136.11 49.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.821 0.343 . . . . 0.0 110.867 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 31.9 mt -128.32 115.85 19.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 121.49 8.18 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.658 2.239 . . . . 0.0 112.352 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.655 HD11 HD12 ' A' ' 51' ' ' LEU . 58.4 mt -93.73 -26.71 16.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.425 ' O ' HD12 ' A' ' 69' ' ' LEU . 7.7 tp -47.81 -18.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.467 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 3.9 p -121.02 40.99 3.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' A' ' 95' ' ' VAL . 19.0 m-85 -145.24 176.81 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.55 ' NH2' ' HB3' ' A' ' 93' ' ' ALA . 53.2 mtm180 -133.64 109.31 9.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.617 HG21 ' HB3' ' A' ' 115' ' ' MET . 26.0 t -91.21 147.83 4.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.63 158.64 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.089 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.82 147.1 50.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 87' ' ' THR . 0.2 OUTLIER -58.79 177.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -120.05 160.51 42.71 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.585 0.707 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -14.67 36.26 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.3 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.7 p -99.09 8.72 44.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.41 174.09 10.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -99.55 22.14 11.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 14.2 mm -97.63 133.67 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -97.51 -42.09 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.3 mtt-85 -58.88 129.68 43.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -79.37 164.43 24.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.403 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.9 m-70 59.06 53.17 5.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.822 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.675 ' O ' HG22 ' A' ' 76' ' ' VAL . 3.5 m -117.62 156.89 27.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.1 p90 -148.55 145.27 27.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -122.64 155.2 36.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.484 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -131.3 119.24 21.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.799 ' HB3' HG23 ' A' ' 97' ' ' THR . 3.1 pt-20 -138.7 138.05 37.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.559 ' HB3' HG22 ' A' ' 95' ' ' VAL . 42.3 t-80 -87.92 0.22 56.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.55 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . . . 62.24 55.0 2.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 170.05 -21.67 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.449 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.632 HG23 ' N ' ' A' ' 96' ' ' ARG . 18.2 m -112.8 -56.42 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.341 . . . . 0.0 111.121 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.632 ' N ' HG23 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -177.55 -178.51 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.799 HG23 ' HB3' ' A' ' 91' ' ' GLU . 40.9 m -134.46 102.94 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -78.87 156.35 28.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.5 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 16.8 m-85 -127.88 150.19 49.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.5 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 31.2 m-85 -152.8 120.98 6.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.6 t -103.65 149.65 24.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -121.94 143.35 49.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.51 -36.46 82.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.5 m -125.52 151.99 71.09 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.662 0.744 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.403 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.2 Cg_endo -69.77 -18.52 36.89 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -77.8 -16.55 58.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -93.56 -41.27 9.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 87' ' ' THR . 18.8 tt0 -56.74 -57.49 12.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.518 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.3 pt-20 -57.72 -49.24 77.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.518 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -53.63 -48.89 68.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.543 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 35.2 m95 -57.05 -49.62 75.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 79.6 mt -51.89 -42.83 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.127 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -50.08 -43.66 51.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.27 -54.62 5.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.617 ' HB3' HG21 ' A' ' 73' ' ' VAL . 10.5 mtt -58.5 -59.87 4.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -45.81 -56.0 6.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.24 -45.06 96.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.87 -13.66 61.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 68' ' ' LEU . . . -106.47 -2.54 21.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -57.53 -174.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.674 ' O ' HG12 ' A' ' 121' ' ' VAL . 85.5 t -133.24 2.77 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m -143.25 130.83 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -171.83 147.65 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.07 70.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 p -117.65 123.49 46.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.853 0.358 . . . . 0.0 110.87 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 t -163.86 119.85 1.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.97 173.84 27.79 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.94 99.25 0.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp 50.68 42.67 27.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 110.933 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -88.36 38.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 12' ' ' HIS . 2.8 t -73.72 -54.39 8.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 11' ' ' SER . 8.6 p80 -34.57 -48.12 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.8 p -167.72 132.95 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 30.6 mtp -90.66 166.54 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.5 mttm -153.23 144.91 23.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.498 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 7.1 ttt-85 -97.02 120.5 37.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -77.97 143.28 65.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -37.15 9.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -63.12 -39.76 95.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.73 129.63 71.17 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 131.54 21.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.27 . . . . 0.0 112.306 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.796 ' HA ' HG22 ' A' ' 47' ' ' VAL . 5.7 p -66.19 117.27 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -66.11 -63.64 1.04 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.155 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.529 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 33.1 tttp -150.58 133.54 16.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -129.94 146.99 51.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.65 157.48 17.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.417 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 94.7 m95 -76.36 112.92 13.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.787 0.327 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 101' ' ' SER . 16.1 mt -120.02 170.59 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.492 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 3.4 m-85 -117.93 114.33 23.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -91.74 124.52 35.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -58.43 154.57 13.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.66 46.24 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' SER . 35.0 m -41.18 -36.51 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' SER . 1.8 m -35.68 -60.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -160.96 -88.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.428 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.8 m -43.18 160.16 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.947 0.403 . . . . 0.0 111.095 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -99.4 101.44 12.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -164.89 -177.68 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -132.09 135.83 46.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -112.88 124.34 52.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 18.9 tttm -86.97 108.15 18.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -129.43 158.92 37.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.582 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 49.5 t-105 -73.72 118.45 16.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.583 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.7 m-85 -100.97 141.89 33.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.471 HG21 ' OE1' ' A' ' 59' ' ' GLU . 97.7 t -143.01 128.33 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 50' ' ' CYS . 29.3 tp -103.39 113.61 27.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.796 HG22 ' HA ' ' A' ' 22' ' ' VAL . 17.7 t -141.9 136.12 30.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t0 56.91 54.1 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 46.02 28.86 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.63 ' O ' HD12 ' A' ' 46' ' ' LEU . 70.8 m -133.17 153.09 51.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.758 HD12 HD11 ' A' ' 68' ' ' LEU . 2.8 tt -103.13 131.29 50.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' A' ' 16' ' ' ARG . 38.8 m-85 -133.35 119.67 20.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 5.7 p90 -108.32 122.79 47.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.46 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 73.7 m-85 -105.56 149.78 25.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HB3' HD11 ' A' ' 63' ' ' LEU . 44.0 pttt -44.9 -32.36 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -152.99 -175.05 5.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.582 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 4.4 tp10 -69.24 -26.38 64.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -49.68 -27.18 4.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.471 ' OE1' HG21 ' A' ' 45' ' ' VAL . 34.4 mt-10 51.5 53.72 12.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -75.02 -64.16 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.2 t -134.18 143.03 47.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.0 mt -71.78 116.36 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.678 HD11 ' HB3' ' A' ' 55' ' ' LYS . 73.9 mt -74.24 -45.21 49.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -158.81 115.12 0.64 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.8 p -90.5 137.2 32.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.6 mt -129.73 115.29 18.03 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.614 0.721 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 119.52 6.45 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.758 HD11 HD12 ' A' ' 51' ' ' LEU . 22.8 mt -93.96 -25.51 17.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.547 HD12 HG22 ' A' ' 121' ' ' VAL . 5.9 tp -52.43 -15.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 13.0 m -118.83 33.77 5.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -137.36 174.62 10.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -133.58 89.43 2.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' ' 115' ' ' MET . 49.0 t -66.44 146.2 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -169.53 134.74 1.47 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.61 138.88 17.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.921 HG22 ' O ' ' A' ' 87' ' ' THR . 3.3 m -53.7 168.1 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -114.49 158.72 39.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -1.87 9.22 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.704 2.269 . . . . 0.0 112.314 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -106.49 -12.56 15.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.11 156.93 36.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -85.14 46.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.2 mm -114.48 88.75 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.163 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.2 m -45.71 -33.22 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -63.53 162.96 11.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -108.18 -58.43 1.99 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.537 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 5.4 m-70 -76.9 64.39 2.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.921 ' O ' HG22 ' A' ' 76' ' ' VAL . 52.8 m -130.79 143.46 50.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 1.0 OUTLIER -127.75 131.63 49.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 2.4 pttm -101.34 133.36 46.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -111.27 125.4 53.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' ARG . 2.9 pt-20 -124.8 143.44 50.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.692 ' ND1' HG23 ' A' ' 95' ' ' VAL . 3.7 t-80 -106.33 -10.84 16.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 60.96 35.28 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -161.46 -40.84 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.692 HG23 ' ND1' ' A' ' 92' ' ' HIS . 17.9 t -104.97 -71.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 111.1 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.44 ' NE ' ' OH ' ' A' ' 98' ' ' TYR . 6.4 ptt180 -167.36 172.98 9.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 47.7 m -114.82 117.63 31.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.44 ' OH ' ' NE ' ' A' ' 96' ' ' ARG . 21.8 m-85 -88.78 171.53 9.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 19.6 m-85 -139.24 141.99 37.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 12.7 m-85 -144.43 132.38 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.446 ' O ' HD23 ' A' ' 28' ' ' LEU . 13.6 t -116.57 160.92 19.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -131.88 138.4 48.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.71 -44.29 96.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.27 146.42 33.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.845 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.537 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.71 -17.94 37.51 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -77.8 -30.96 51.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -78.67 -40.51 33.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -52.05 -62.26 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.504 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.3 pt-20 -54.48 -49.04 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.504 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -55.24 -42.08 72.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.529 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.7 m95 -61.1 -52.74 63.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 76.5 mt -50.54 -49.85 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.186 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -46.05 -40.44 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.27 -57.29 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.134 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.584 ' HB3' HG21 ' A' ' 73' ' ' VAL . 13.4 mtt -57.88 -65.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' MET . . . -37.66 -49.47 1.86 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.475 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -68.04 -60.15 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.47 -18.08 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.068 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -90.54 -43.35 10.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 120' ' ' ARG . 3.1 ptp180 -68.2 145.6 54.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.547 HG22 HD12 ' A' ' 69' ' ' LEU . 21.9 t -114.2 89.4 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -158.32 136.6 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.853 0.359 . . . . 0.0 110.884 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -105.9 149.0 26.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.59 123.12 1.02 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -86.59 166.84 15.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.906 0.384 . . . . 0.0 110.827 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -140.09 159.8 41.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.41 -117.84 6.17 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.17 74.42 1.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -83.87 82.48 8.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.2 mtm180 -72.38 125.19 26.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.1 p -107.97 94.2 4.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -163.76 134.91 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 23.0 t -140.36 148.82 41.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 58.0 tpp -91.37 130.18 37.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -141.76 156.78 45.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.937 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.64 ' CZ ' HG21 ' A' ' 47' ' ' VAL . 9.1 tpt85 -103.68 135.03 46.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -113.95 139.24 23.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.641 0.734 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -23.61 30.55 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.5 m-20 -69.34 -42.2 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.83 123.52 79.99 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.591 0.71 . . . . 0.0 111.091 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 134.12 27.2 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.648 2.232 . . . . 0.0 112.354 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.697 ' HA ' HG22 ' A' ' 47' ' ' VAL . 5.0 p -61.36 113.62 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.147 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -63.82 -55.34 23.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 32.7 tttp -159.2 134.3 8.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -134.96 131.26 36.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.63 154.32 25.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -72.37 108.46 5.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.787 0.327 . . . . 0.0 110.956 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD11 ' CE2' ' A' ' 111' ' ' TRP . 36.7 mt -120.23 178.05 4.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 45.8 m-85 -116.8 123.82 48.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -99.71 99.89 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 7.8 tt0 -46.43 148.71 0.89 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -99.82 140.74 33.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.8 m -114.97 -46.75 2.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.9 m -69.23 131.94 45.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.79 -124.06 22.3 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.547 HG22 ' H ' ' A' ' 37' ' ' LYS . 6.1 p -49.8 167.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.93 0.395 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.547 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -132.48 64.69 1.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.846 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -116.89 129.44 56.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 69.1 m95 -61.92 122.56 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -104.86 99.27 8.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 19.3 tttm -59.72 120.5 9.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 mmt85 -138.97 158.88 43.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.455 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 38.9 t-105 -74.08 117.67 16.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.566 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.3 m-85 -100.35 138.26 37.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.3 t -140.1 129.14 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.651 HD12 ' O ' ' A' ' 50' ' ' CYS . 52.6 tp -103.36 113.93 27.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 22' ' ' VAL . 15.1 t -142.85 134.67 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.3 t70 59.09 52.33 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 47.17 28.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.651 ' O ' HD12 ' A' ' 46' ' ' LEU . 17.2 t -133.07 151.32 52.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.677 HD12 HD11 ' A' ' 68' ' ' LEU . 3.9 tt -101.43 129.57 47.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 46.6 m-85 -131.17 119.35 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.6 p90 -108.6 120.65 43.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -104.42 155.88 18.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' CA ' HD11 ' A' ' 63' ' ' LEU . 10.9 pttp -50.19 -39.36 43.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -155.03 -178.36 7.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -60.7 -18.54 54.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mttp -54.93 -35.69 64.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 58.51 46.41 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -65.24 -63.25 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 t -143.5 147.24 34.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.6 mt -68.54 121.93 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.59 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 45.9 mt -79.39 -40.15 30.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.489 ' O ' ' CE1' ' A' ' 53' ' ' TYR . . . -164.73 114.54 0.6 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 38.4 p -88.71 141.81 28.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.832 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mt -138.76 112.36 8.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.633 0.73 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 115.73 4.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.72 2.28 . . . . 0.0 112.322 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.677 HD11 HD12 ' A' ' 51' ' ' LEU . 39.9 mt -84.41 -34.51 23.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.64 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -41.91 -23.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.961 179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.598 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 32.4 t -115.78 43.04 2.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.683 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 16.1 m-85 -143.13 175.08 10.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -133.88 92.85 3.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.619 HG21 ' HB3' ' A' ' 115' ' ' MET . 25.7 t -72.42 142.14 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.06 128.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -41.4 160.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.425 HG21 ' HB ' ' A' ' 87' ' ' THR . 0.6 OUTLIER -74.48 172.96 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -112.24 160.24 30.88 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.577 0.703 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -9.11 25.31 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.6 p -91.13 -20.34 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -67.91 156.73 36.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 30.1 m120 -94.07 46.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.418 HD12 HG11 ' A' ' 76' ' ' VAL . 1.4 mt -108.92 102.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.2 p -59.8 -47.98 83.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -56.05 137.25 51.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -94.11 175.09 6.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 52.11 49.98 19.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.492 HG22 ' N ' ' A' ' 88' ' ' PHE . 18.6 m -110.87 159.17 17.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.492 ' N ' HG22 ' A' ' 87' ' ' THR . 1.3 p90 -153.56 132.39 12.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.496 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -118.26 146.57 44.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.91 132.35 53.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -124.6 138.02 54.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.618 ' ND1' HG23 ' A' ' 95' ' ' VAL . 11.5 t-80 -106.68 -6.59 17.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 54.16 51.93 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -179.48 -35.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.618 HG23 ' ND1' ' A' ' 92' ' ' HIS . 11.2 t -109.92 -70.67 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.462 ' NE ' HG12 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -164.44 -177.31 4.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 29.9 m -129.24 104.6 7.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -78.87 153.47 30.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 100' ' ' PHE . 11.2 m-85 -122.95 155.27 37.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.582 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 31.7 m-85 -155.91 119.38 4.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.5 t -99.38 157.39 16.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.53 142.99 49.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -64.46 -46.11 84.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.4 p -117.45 154.55 50.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.747 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -20.53 34.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -73.26 -24.97 60.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -84.09 -42.92 15.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -59.34 -53.04 62.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.5 pt-20 -58.86 -46.03 88.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.452 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -61.83 -47.45 85.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.508 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 31.7 m95 -56.86 -44.25 82.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 116' ' ' GLY . 74.2 mt -58.68 -38.64 72.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.158 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -53.54 -46.25 70.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.53 -53.56 6.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.619 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.4 mtt -60.96 -60.85 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.97 -49.09 9.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.63 -45.96 81.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.96 -29.61 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.683 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -78.76 -45.15 21.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.064 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -40.87 133.81 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.838 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 121' ' ' VAL . 69.3 t -71.33 -13.3 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -80.87 161.16 24.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.824 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p -60.41 129.43 41.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.65 98.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.518 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 m -49.27 125.18 10.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 0.0 110.899 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.0 m -78.03 -55.56 5.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.62 -96.09 0.1 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 93.73 139.41 9.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -81.61 87.98 6.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.736 0.303 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.7 mtm-85 -44.23 165.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 84.8 p -58.91 122.73 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -107.54 105.55 15.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.2 p -160.93 169.76 21.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 44.9 mmm -116.75 139.79 50.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -156.03 172.09 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.565 ' CB ' HD11 ' A' ' 62' ' ' ILE . 9.1 tpt85 -93.76 132.42 38.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.457 ' OD1' ' ND2' ' A' ' 19' ' ' ASN . 6.8 t-20 -102.82 121.92 47.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.25 35.91 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.726 2.284 . . . . 0.0 112.314 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.457 ' ND2' ' OD1' ' A' ' 17' ' ' ASN . 1.2 p30 -90.36 -33.99 15.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.79 131.08 91.31 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 111.074 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 138.01 36.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.606 ' HA ' HG22 ' A' ' 47' ' ' VAL . 74.3 t -62.23 110.46 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.474 ' CG2' HD23 ' A' ' 46' ' ' LEU . 31.3 m -59.39 -43.15 92.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.572 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 37.2 tttp -173.76 132.24 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.48 143.24 50.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.062 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.33 146.83 7.92 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.494 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 74.7 m95 -72.92 104.7 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.94 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.4 mt -110.6 173.5 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -115.56 116.76 28.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -97.75 108.72 21.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -48.44 145.96 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.6 116.34 4.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 t -67.8 -39.37 84.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.5 t -153.83 136.26 15.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.73 -153.81 16.83 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 p -44.88 134.96 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 111.135 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 mmtt -81.12 99.79 8.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -170.42 135.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -71.69 133.85 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -107.83 121.19 44.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.2 tttp -75.12 126.04 30.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -145.42 154.88 42.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 60.7 t-105 -75.31 122.23 23.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.2 m-85 -106.57 134.76 49.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.7 t -139.05 127.89 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 50' ' ' CYS . 18.9 tp -104.1 113.29 26.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.606 HG22 ' HA ' ' A' ' 22' ' ' VAL . 9.6 t -143.95 142.45 24.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 58.36 49.43 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.703 ' HE ' HD22 ' A' ' 69' ' ' LEU . 4.8 tmm_? 46.32 48.8 13.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.715 ' O ' HD12 ' A' ' 46' ' ' LEU . 49.2 t -159.33 156.84 29.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.796 HD12 HD11 ' A' ' 68' ' ' LEU . 2.5 tt -100.3 133.33 44.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.471 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 28.9 m-85 -131.36 119.33 21.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 5.7 p90 -106.61 122.42 46.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.92 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.424 ' CD1' ' HG2' ' A' ' 59' ' ' GLU . 74.7 m-85 -112.15 154.0 26.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.953 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.538 ' N ' HD11 ' A' ' 63' ' ' LEU . 24.4 pttm -54.07 -37.47 64.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -150.32 177.96 9.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -58.72 -22.39 57.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -53.48 -37.45 62.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 21.9 mt-10 53.28 34.18 17.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -51.73 -59.59 4.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.9 m -135.08 141.36 46.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.565 HD11 ' CB ' ' A' ' 16' ' ' ARG . 65.4 mt -68.47 119.59 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.559 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 45.9 mt -72.39 -41.71 66.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -175.46 116.72 0.58 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.2 m -82.78 140.31 33.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.839 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 80.7 mt -129.94 116.19 17.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.567 0.698 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 134.12 27.16 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.796 HD11 HD12 ' A' ' 51' ' ' LEU . 41.3 mt -110.06 -21.27 12.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.76 ' H ' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -51.9 -16.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 179.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 m -100.86 -32.08 10.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.881 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 7.1 m-85 -79.39 169.54 17.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 73' ' ' VAL . 69.9 ttt180 -130.86 64.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.788 HG21 ' HB3' ' A' ' 115' ' ' MET . 48.6 t -33.69 144.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.92 129.74 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -39.45 152.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 87' ' ' THR . 2.5 m -66.22 -176.38 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.452 ' CD ' ' HD2' ' A' ' 78' ' ' PRO . 5.7 mm-40 -136.18 162.0 59.1 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HD2' ' CD ' ' A' ' 77' ' ' GLN . 53.7 Cg_endo -69.74 -4.33 13.79 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.244 . . . . 0.0 112.37 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 t -95.91 -17.73 20.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -79.63 156.65 27.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -84.52 47.29 1.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.8 mm -106.04 126.65 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.147 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.7 t -94.79 -43.25 8.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -64.92 135.42 55.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -86.15 161.2 18.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 67.52 50.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.739 ' O ' HG22 ' A' ' 76' ' ' VAL . 37.9 m -122.36 147.93 45.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 88' ' ' PHE . 1.0 OUTLIER -131.76 131.38 42.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 99' ' ' PHE . 8.6 pttt -105.19 135.41 46.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -106.73 131.2 54.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -137.19 134.61 36.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.527 ' ND1' HG23 ' A' ' 95' ' ' VAL . 1.9 t-80 -98.92 -16.57 18.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 70.79 37.24 1.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -168.69 -31.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.527 HG23 ' ND1' ' A' ' 92' ' ' HIS . 60.0 t -107.26 -63.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 111.105 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.546 ' HD3' ' CE2' ' A' ' 98' ' ' TYR . 0.2 OUTLIER -175.0 178.49 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 33.3 m -122.22 106.42 11.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.143 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.546 ' CE2' ' HD3' ' A' ' 96' ' ' ARG . 30.5 m-85 -81.47 169.88 16.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 89' ' ' LYS . 20.8 m-85 -140.88 138.27 33.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -139.15 118.5 12.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.5 t -96.91 150.08 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -125.5 123.0 38.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -46.79 -43.36 18.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.2 p -121.57 153.82 59.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.701 0.763 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -22.86 31.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.269 . . . . 0.0 112.354 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -74.15 -19.16 60.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -81.41 -54.1 5.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 111' ' ' TRP . 9.8 tt0 -56.49 -63.83 1.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 110' ' ' ALA . 7.5 pt-20 -38.97 -44.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 109' ' ' GLU . . . -72.38 -34.14 67.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.572 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 32.0 m95 -68.6 -42.62 77.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 116' ' ' GLY . 79.9 mt -57.77 -39.87 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -53.22 -46.81 69.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.35 -56.7 4.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.788 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.3 mtt -59.5 -59.33 5.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -47.93 -51.25 19.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -63.36 -55.27 25.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -52.98 -21.95 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.881 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -78.8 -45.17 21.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.073 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -40.64 146.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 69' ' ' LEU . 15.6 t -117.91 45.35 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t 37.76 42.19 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 0.0 110.888 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -91.03 165.53 13.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.31 -161.08 10.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m -139.54 176.54 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.918 0.389 . . . . 0.0 110.856 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 m -152.36 144.07 23.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.22 -168.61 23.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.38 41.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.445 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -105.34 165.44 11.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.772 0.32 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.77 149.08 27.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -136.71 110.77 8.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -106.0 -53.06 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.5 p -173.38 147.33 1.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 52.7 mmm -118.99 140.52 49.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' HD3' ' N ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -149.25 149.38 30.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.947 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.504 ' HE ' HG21 ' A' ' 47' ' ' VAL . 22.2 ttt-85 -74.69 139.95 43.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -86.65 124.13 69.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.671 0.748 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -13.37 34.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.702 2.268 . . . . 0.0 112.308 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -88.29 -36.01 16.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.4 128.97 93.76 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.587 0.708 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 130.45 19.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.313 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.699 ' HA ' HG22 ' A' ' 47' ' ' VAL . 95.5 t -52.82 109.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.5 m -58.53 -59.34 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 10.5 tttm -154.33 138.18 16.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.521 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.17 130.93 45.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.091 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.07 142.55 7.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.65 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 68.2 m95 -70.78 106.05 3.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.543 HD11 ' CE2' ' A' ' 111' ' ' TRP . 45.6 mt -110.65 174.04 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 5.8 m-85 -117.06 105.85 12.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.7 ttmm -83.22 116.22 22.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.435 ' NE2' ' CD1' ' A' ' 82' ' ' ILE . 4.8 tt0 -53.47 159.69 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -98.17 175.79 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 66.5 m -101.14 178.87 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.8 t -48.48 138.91 9.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.36 -57.51 0.44 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.547 HG12 ' HG2' ' A' ' 38' ' ' GLN . 42.3 t -105.07 110.13 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.6 ttmt -95.26 85.42 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.547 ' HG2' HG12 ' A' ' 36' ' ' VAL . 4.6 pt20 -174.98 121.5 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.419 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 57.1 m95 -61.0 143.54 55.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -110.49 112.27 24.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 36.0 tttt -77.53 119.53 21.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -141.12 167.61 21.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.65 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 33.5 t-105 -80.71 116.15 20.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.484 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.21 136.56 39.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.0 t -138.76 126.88 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 32.4 tp -103.13 112.96 26.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.699 HG22 ' HA ' ' A' ' 22' ' ' VAL . 12.5 t -143.0 135.73 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t70 58.49 54.6 5.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 44.65 29.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.2 t -134.96 147.58 49.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.53 ' HB2' HD11 ' A' ' 68' ' ' LEU . 3.3 tt -98.91 131.05 45.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 50' ' ' CYS . 35.8 m-85 -131.55 119.25 21.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.573 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 37.5 p90 -109.6 118.69 37.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.999 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.448 ' CE2' HG12 ' A' ' 62' ' ' ILE . 66.4 m-85 -103.4 140.92 36.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.621 ' HB3' HD11 ' A' ' 63' ' ' LEU . 18.4 pttm -40.42 -41.38 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -142.41 -175.1 4.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 1.9 pp20? -80.88 41.87 0.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -99.86 -32.91 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 54.8 48.31 20.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -106.23 -64.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -111.88 129.21 56.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.448 HG12 ' CE2' ' A' ' 54' ' ' TYR . 81.0 mt -82.93 118.67 31.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.168 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.621 HD11 ' HB3' ' A' ' 55' ' ' LYS . 58.8 mt -76.08 -45.18 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.58 134.04 3.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.6 p -118.01 133.46 55.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.469 HG12 ' CZ ' ' A' ' 98' ' ' TYR . 3.9 mp -119.67 120.73 30.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 80.24 0.88 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.376 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.53 HD11 ' HB2' ' A' ' 51' ' ' LEU . 87.7 mt -51.37 -33.25 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.504 ' CD1' HG22 ' A' ' 121' ' ' VAL . 6.4 tp -49.32 -18.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.967 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 73.2 m -123.21 46.99 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 92' ' ' HIS . 23.0 m-85 -147.16 166.76 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.7 mtp180 -122.98 87.88 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.464 HG21 ' HB3' ' A' ' 115' ' ' MET . 21.3 t -67.24 144.53 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.99 151.12 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.81 153.52 36.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.618 HG11 HG13 ' A' ' 82' ' ' ILE . 4.0 m -68.97 170.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -120.28 159.51 47.31 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.636 0.732 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 2.11 3.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.703 2.268 . . . . 0.0 112.3 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.6 m -104.8 -19.84 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -73.91 163.34 28.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -83.92 38.52 0.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.641 HD11 ' CE2' ' A' ' 99' ' ' PHE . 43.4 mm -99.23 108.64 22.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.186 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.8 m -81.81 40.73 0.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' CZ ' ' OG ' ' A' ' 101' ' ' SER . 12.4 mtp180 -132.8 175.22 9.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm -106.68 -66.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.422 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 2.9 m-70 -89.97 83.85 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.503 ' HB ' HG21 ' A' ' 76' ' ' VAL . 77.2 m -133.18 156.52 47.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.094 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.477 ' N ' HG22 ' A' ' 87' ' ' THR . 12.1 p90 -150.8 131.17 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.552 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -120.33 145.64 46.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.727 ' O ' HG23 ' A' ' 97' ' ' THR . . . -103.11 150.18 23.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.065 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -140.49 134.69 31.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.546 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 6.6 t-80 -106.95 -2.19 21.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 49.81 40.23 19.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -165.03 -41.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.463 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.413 HG23 ' ND1' ' A' ' 92' ' ' HIS . 95.3 t -103.68 -67.42 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 111.137 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.547 ' HD3' ' CE1' ' A' ' 98' ' ' TYR . 6.5 ptm180 -170.41 -177.22 2.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 90' ' ' ALA . 21.1 m -125.0 110.22 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 100' ' ' PHE . 43.7 m-85 -84.05 150.18 25.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.641 ' CE2' HD11 ' A' ' 82' ' ' ILE . 26.1 m-85 -120.62 143.86 48.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 98' ' ' TYR . 11.9 m-85 -145.39 118.57 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.436 ' OG ' ' CZ ' ' A' ' 84' ' ' ARG . 12.3 t -104.51 140.5 37.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -113.05 132.69 55.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -46.18 -54.11 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 m -112.91 160.79 29.5 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.694 0.759 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.422 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.8 Cg_endo -69.74 -19.13 36.62 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -70.93 -37.01 72.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -71.2 -52.02 21.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -46.03 -60.29 2.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.535 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 8.3 pt-20 -55.4 -50.63 69.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -51.29 -42.4 61.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.543 ' CE2' HD11 ' A' ' 28' ' ' LEU . 47.8 m95 -64.9 -62.1 1.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 88.5 mt -39.84 -34.12 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -60.67 -46.76 89.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.68 -46.96 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.464 ' HB3' HG21 ' A' ' 73' ' ' VAL . 4.8 mtt -64.4 -63.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -40.95 -53.77 3.76 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -60.1 -60.55 3.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.38 -17.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.57 -39.53 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.105 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -69.86 137.3 51.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.504 HG22 ' CD1' ' A' ' 69' ' ' LEU . 46.9 t -102.61 87.51 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -154.15 128.81 9.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 m -138.19 142.11 40.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.05 139.4 3.8 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -167.55 119.6 0.89 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.372 . . . . 0.0 110.925 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -132.26 162.92 29.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.57 117.16 4.37 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.11 -176.4 45.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -107.1 96.72 6.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.776 0.322 . . . . 0.0 110.934 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 -139.8 112.75 8.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 p -147.93 172.43 14.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -68.72 -47.12 67.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.1 t 61.45 41.71 12.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 72.8 mtp -134.25 112.19 10.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -123.62 169.11 11.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HB2' HD11 ' A' ' 62' ' ' ILE . 12.1 tpt85 -106.25 133.92 50.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -123.95 138.97 31.5 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.577 0.704 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -27.86 25.95 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.7 2.267 . . . . 0.0 112.352 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.71 -36.75 83.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.7 122.51 82.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.556 0.693 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 130.97 20.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.738 ' HA ' HG22 ' A' ' 47' ' ' VAL . 67.1 t -58.92 112.22 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.509 HG21 HD23 ' A' ' 46' ' ' LEU . 25.6 m -62.23 -57.86 9.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.187 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.53 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 30.4 tttp -155.86 136.58 13.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -130.92 131.28 44.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -166.48 158.24 31.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.443 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 68.3 m95 -83.76 102.71 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.817 0.342 . . . . 0.0 110.915 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.781 HD11 ' CE2' ' A' ' 111' ' ' TRP . 8.7 mt -112.79 171.35 7.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 12.9 m-85 -109.91 122.57 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.3 tttt -96.55 106.55 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -45.97 145.6 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -90.36 96.19 10.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.6 p -90.55 -35.24 15.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.826 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.9 t -39.29 -50.78 2.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.791 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' VAL . . . -169.08 -88.09 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.497 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 35' ' ' GLY . 93.0 t -33.98 149.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -105.69 92.0 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -164.16 167.77 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -110.32 124.3 51.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -111.65 133.98 53.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.546 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -91.94 125.16 36.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.2 mmt180 -137.17 158.57 44.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 48.3 t-105 -73.04 113.99 10.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.414 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.4 m-85 -100.46 143.58 30.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.3 t -148.12 128.23 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.17 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.696 HD12 ' O ' ' A' ' 50' ' ' CYS . 22.0 tp -103.28 112.98 26.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' A' ' 22' ' ' VAL . 15.8 t -142.46 133.79 25.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 t0 63.93 54.99 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.836 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 44.59 29.79 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.696 ' O ' HD12 ' A' ' 46' ' ' LEU . 79.4 m -138.65 163.51 31.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 52' ' ' PHE . 3.5 tt -109.55 139.65 44.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.54 ' N ' HD23 ' A' ' 51' ' ' LEU . 48.5 m-85 -137.17 119.35 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.6 p90 -106.56 120.34 41.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.429 ' CE2' HG12 ' A' ' 62' ' ' ILE . 79.2 m-85 -108.67 157.38 18.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' N ' HD11 ' A' ' 63' ' ' LEU . 13.8 pttp -51.62 -42.22 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -150.95 -177.31 5.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.82 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -60.9 -24.01 65.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -54.27 -40.77 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 60.55 47.68 8.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -60.48 -54.47 45.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 t -146.75 141.36 26.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.571 HD11 ' HB2' ' A' ' 16' ' ' ARG . 78.3 mt -63.96 131.29 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 53' ' ' TYR . 39.7 mt -87.78 -38.29 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -176.26 130.29 1.66 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.439 ' C ' HG13 ' A' ' 66' ' ' ILE . 82.6 p -99.2 147.62 24.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.617 HG21 ' CE2' ' A' ' 98' ' ' TYR . 11.1 mt -138.99 120.82 10.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.598 0.713 . . . . 0.0 111.141 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 136.8 33.81 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.67 2.246 . . . . 0.0 112.318 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.414 HD11 HD12 ' A' ' 51' ' ' LEU . 59.7 mt -119.52 -25.72 5.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.2 tp -46.8 -19.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.41 ' N ' ' C ' ' A' ' 68' ' ' LEU . 74.6 m -107.17 -21.83 12.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.976 ' O ' ' HB1' ' A' ' 119' ' ' ALA . 25.5 m-85 -86.94 164.6 16.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -126.45 90.0 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.848 HG22 ' HB2' ' A' ' 90' ' ' ALA . 98.0 t -63.3 146.52 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.47 136.59 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.84 162.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 87' ' ' THR . 4.1 m -74.58 -177.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -130.85 159.75 69.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.7 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 1.36 4.46 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.6 p -101.27 -26.41 13.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -67.97 155.85 38.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -87.55 50.16 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 25.0 mm -105.16 131.83 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -80.08 -53.22 6.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.7 mtt-85 -50.05 162.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -96.63 -69.24 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.421 ' CE1' ' HB3' ' A' ' 105' ' ' PRO . 6.4 m-70 -74.33 82.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.505 ' O ' HG22 ' A' ' 76' ' ' VAL . 88.4 m -131.99 156.16 46.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 0.9 OUTLIER -146.73 131.53 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.583 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.3 OUTLIER -114.79 148.33 38.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.848 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -121.49 140.08 52.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.441 ' C ' ' CD2' ' A' ' 71' ' ' PHE . 3.2 pt-20 -139.67 153.37 47.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.594 ' HB2' ' CD1' ' A' ' 71' ' ' PHE . 1.7 t-160 -103.98 -75.05 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.611 ' H ' HG22 ' A' ' 95' ' ' VAL . . . -175.94 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 44.14 46.28 8.06 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.657 HG23 ' H ' ' A' ' 96' ' ' ARG . 5.8 m -132.64 -57.94 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.752 0.311 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.657 ' H ' HG23 ' A' ' 95' ' ' VAL . 2.5 ptm85 -172.06 166.56 6.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.9 m -134.54 106.84 7.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.617 ' CE2' HG21 ' A' ' 66' ' ' ILE . 91.8 m-85 -78.58 154.41 30.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 49.8 m-85 -135.3 136.35 41.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 16.4 m-85 -140.43 134.33 30.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 p -112.71 156.9 22.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 103' ' ' GLU . . . -131.36 123.61 28.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.08 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' ALA . 4.9 mm-40 -36.2 -53.99 0.81 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 m -111.94 161.58 25.14 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.626 0.726 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.421 ' HB3' ' CE1' ' A' ' 86' ' ' HIS . 53.9 Cg_endo -69.79 -18.7 36.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -72.54 -41.14 66.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -66.89 -45.3 78.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -53.87 -58.93 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.502 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 4.8 pt-20 -56.89 -48.63 77.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.502 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.03 -42.69 76.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.781 ' CE2' HD11 ' A' ' 28' ' ' LEU . 33.0 m95 -61.31 -54.39 44.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 116' ' ' GLY . 92.3 mt -48.54 -41.39 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -50.57 -49.4 56.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -80.68 -55.72 4.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.409 ' HB3' HG21 ' A' ' 73' ' ' VAL . 4.6 mtt -56.45 -61.03 2.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -49.52 -53.0 22.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -56.18 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.75 -16.8 7.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.976 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -93.41 -39.98 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -68.17 142.87 55.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.4 t -133.32 102.48 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.436 -0.265 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -157.91 120.42 3.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -83.2 156.14 23.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.14 113.56 4.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -119.53 95.41 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.843 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 t -144.09 134.25 24.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.85 113.86 4.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -156.77 -70.51 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -76.6 -55.65 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.758 0.313 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 mtt85 -85.03 41.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -128.93 113.18 14.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -54.26 -52.47 61.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.8 p -133.01 133.26 42.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 50.9 mtp -96.93 157.64 15.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.76 169.27 23.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.543 ' HB3' HD11 ' A' ' 62' ' ' ILE . 43.9 ttp85 -103.48 121.45 42.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -51.36 143.26 18.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.649 0.738 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -17.86 37.32 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -115.96 38.29 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.78 125.85 31.22 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.703 . . . . 0.0 111.144 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 134.75 28.62 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.304 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.852 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.6 p -71.33 113.51 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.463 ' CG2' HD23 ' A' ' 46' ' ' LEU . 19.5 m -63.74 -52.92 58.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.57 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 35.3 tttp -154.01 143.97 21.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.494 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -132.59 140.62 48.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.55 142.48 4.36 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.465 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.521 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.6 m95 -73.33 111.05 8.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.816 0.341 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.8 mt -114.45 172.25 7.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 23.5 m-85 -120.37 115.39 23.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -95.01 110.25 22.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -48.54 147.13 2.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -106.01 108.97 20.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.0 t -98.55 -46.87 5.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 m -55.55 -44.57 76.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.35 -162.93 22.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.745 HG13 ' HG2' ' A' ' 38' ' ' GLN . 4.3 p -44.07 140.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 111.113 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -67.85 94.3 0.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.745 ' HG2' HG13 ' A' ' 36' ' ' VAL . 1.4 pt20 -157.56 169.91 23.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -104.95 126.41 51.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -104.9 118.27 36.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 27.1 tttt -81.33 124.39 29.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -144.95 157.34 44.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.521 ' CZ3' ' CD1' ' A' ' 27' ' ' TRP . 37.7 t-105 -71.61 115.14 10.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.487 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.1 m-85 -101.07 138.66 37.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.424 HG13 HG23 ' A' ' 22' ' ' VAL . 56.3 t -141.05 129.57 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD23 ' CG2' ' A' ' 23' ' ' THR . 18.5 tp -103.41 113.37 26.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.852 HG22 ' HA ' ' A' ' 22' ' ' VAL . 62.3 t -140.27 138.91 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 t0 55.54 54.28 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 45.92 28.5 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.442 ' O ' HD12 ' A' ' 46' ' ' LEU . 84.0 m -134.71 160.18 38.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.665 HD12 HD11 ' A' ' 68' ' ' LEU . 2.2 tt -106.14 135.22 47.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -136.34 119.52 16.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.4 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 27.7 p90 -107.01 128.11 54.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' CZ ' HG12 ' A' ' 62' ' ' ILE . 89.2 m-85 -109.45 140.2 43.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.489 ' CA ' HD11 ' A' ' 63' ' ' LEU . 29.8 pttt -38.43 -39.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -151.7 -176.45 5.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -80.75 42.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -103.74 -24.81 13.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 52.35 52.29 14.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -97.14 -57.52 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.1 t -140.5 139.69 35.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.543 HD11 ' HB3' ' A' ' 16' ' ' ARG . 89.8 mt -78.19 120.77 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.178 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.489 HD11 ' CA ' ' A' ' 55' ' ' LYS . 31.0 mt -71.39 -43.45 66.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -162.79 139.1 5.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.435 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.8 m -108.96 147.12 32.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.823 0.344 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 64.6 mt -139.97 121.25 9.51 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.672 0.749 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 119.63 6.55 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.651 2.234 . . . . 0.0 112.347 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.665 HD11 HD12 ' A' ' 51' ' ' LEU . 30.7 mt -90.91 -25.64 19.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.782 ' H ' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -57.97 -11.46 2.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.491 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 7.5 p -118.4 34.35 5.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -141.34 169.21 18.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -127.82 79.53 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.554 HG21 ' HB3' ' A' ' 115' ' ' MET . 38.1 t -55.41 147.3 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -172.35 160.49 4.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.89 156.96 30.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.498 HG11 HG13 ' A' ' 82' ' ' ILE . 3.1 m -76.36 157.31 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -95.5 157.85 35.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 1.3 4.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.666 2.244 . . . . 0.0 112.39 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 71.1 m -123.75 28.03 7.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -106.29 172.76 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -90.86 47.54 1.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.498 HG13 HG11 ' A' ' 76' ' ' VAL . 48.2 mm -123.85 108.26 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.6 m -60.78 -43.24 98.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -61.15 138.55 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -77.84 -66.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.416 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 4.4 m-70 -74.06 81.04 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.505 HG22 ' N ' ' A' ' 88' ' ' PHE . 54.8 m -133.61 158.53 42.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.505 ' N ' HG22 ' A' ' 87' ' ' THR . 10.7 p90 -153.41 131.12 11.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.589 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -115.69 148.72 39.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.411 ' HB2' HG22 ' A' ' 73' ' ' VAL . . . -111.23 137.22 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -129.21 149.33 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' A' ' 92' ' ' HIS . 8.2 t-80 -114.95 -1.29 13.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 49.42 41.4 20.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -169.16 -39.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.489 HG23 ' ND1' ' A' ' 92' ' ' HIS . 88.6 t -104.99 -69.31 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.871 0.367 . . . . 0.0 111.141 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.575 ' HD2' ' CE2' ' A' ' 98' ' ' TYR . 4.3 ptp180 -166.43 -176.92 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 91.2 m -130.3 107.46 9.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.575 ' CE2' ' HD2' ' A' ' 96' ' ' ARG . 33.8 m-85 -83.06 157.08 23.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.589 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 22.8 m-85 -123.03 148.94 44.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 98' ' ' TYR . 27.1 m-85 -154.29 120.43 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.4 t -107.9 163.58 13.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -133.12 138.98 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -50.48 -51.73 44.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 m -112.54 159.15 35.22 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 0.0 110.898 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.416 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 54.0 Cg_endo -69.73 -26.34 27.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -65.88 -39.4 90.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.09 -39.35 65.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -56.11 -60.57 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 6.9 pt-20 -56.82 -46.69 81.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -54.17 -50.95 65.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.08 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.57 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 34.7 m95 -55.53 -44.81 77.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 116' ' ' GLY . 83.1 mt -58.16 -37.18 60.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -55.25 -48.12 74.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.85 -53.17 7.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.063 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.554 ' HB3' HG21 ' A' ' 73' ' ' VAL . 5.5 mtt -61.96 -61.64 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -42.92 -48.12 6.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.451 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -69.53 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -47.54 -22.34 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 120' ' ' ARG . . . -77.65 -37.67 49.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 119' ' ' ALA . 22.6 ptt180 -37.64 150.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 55.9 t -93.36 -15.17 8.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 m -105.91 113.75 27.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.835 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 t -74.32 -48.37 28.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.81 -76.16 0.23 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.522 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m 54.24 46.35 25.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 t -112.64 130.75 55.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.85 82.09 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.74 126.45 2.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -66.8 83.23 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 37.17 42.31 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 m -126.61 157.27 39.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -121.95 -52.49 1.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.2 m -150.56 162.02 41.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.473 ' CE ' ' SG ' ' A' ' 50' ' ' CYS . 86.6 mtp -56.15 130.39 44.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.92 -179.9 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.557 ' NE ' HG21 ' A' ' 47' ' ' VAL . 8.6 tpt180 -117.62 137.75 52.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -112.6 139.01 22.23 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.734 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -33.9 15.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.714 2.276 . . . . 0.0 112.32 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -63.18 -40.01 96.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.69 125.51 82.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.069 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 130.41 19.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.81 ' HA ' HG22 ' A' ' 47' ' ' VAL . 4.8 p -61.91 117.09 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.4 m -66.65 -60.54 2.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.492 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 25.7 tttp -147.91 135.27 20.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.481 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -131.89 131.25 42.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.58 146.69 9.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 82.9 m95 -71.54 105.3 3.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.8 mt -106.99 174.65 5.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 41' ' ' LYS . 2.6 m-85 -120.93 111.79 17.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -92.41 128.41 38.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.407 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 5.9 tt0 -68.71 142.84 54.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -102.2 110.2 22.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.6 p -99.59 -49.6 4.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 m -51.03 -49.5 60.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.27 -143.37 14.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.65 138.93 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.896 0.379 . . . . 0.0 111.098 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.39 104.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -172.96 132.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.962 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.493 ' CD1' ' HD2' ' A' ' 84' ' ' ARG . 49.7 m95 -73.65 125.14 27.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -104.35 109.85 21.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . 15.9 tttm -65.84 122.26 16.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -141.01 162.19 36.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.576 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 33.4 t-105 -77.08 115.31 16.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.515 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -100.64 136.77 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.1 t -139.54 127.08 25.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 50' ' ' CYS . 41.8 tp -103.3 113.3 26.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.953 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.81 HG22 ' HA ' ' A' ' 22' ' ' VAL . 34.8 t -141.41 133.8 29.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 61.4 54.76 3.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 65.9 mtm-85 45.14 27.45 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.66 ' O ' HD12 ' A' ' 46' ' ' LEU . 9.9 t -133.86 151.45 51.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 68' ' ' LEU . 3.6 tt -99.12 135.96 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.518 ' CD2' ' HD3' ' A' ' 16' ' ' ARG . 30.4 m-85 -136.77 119.38 16.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.59 ' CE1' ' HB2' ' A' ' 63' ' ' LEU . 33.2 p90 -110.96 124.32 51.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -112.93 150.21 32.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -48.77 -35.27 13.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -144.41 -175.12 4.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.576 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 0.5 OUTLIER -81.43 41.52 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -99.59 -40.14 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 60.24 48.12 8.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -101.59 -64.86 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.7 p -110.82 123.74 50.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.422 HD11 ' CB ' ' A' ' 16' ' ' ARG . 78.7 mt -72.45 123.79 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.59 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 75.9 mt -81.68 -43.78 18.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -160.11 125.05 1.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.465 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.8 p -105.22 138.77 40.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.875 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 23.8 mt -138.48 120.23 10.42 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.63 0.728 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 126.86 13.85 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.318 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 51' ' ' LEU . 33.6 mt -95.96 -30.9 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.79 ' H ' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -53.13 -15.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.51 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 12.9 m -117.38 30.02 7.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -134.92 176.93 8.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 91' ' ' GLU . 47.1 ttt85 -133.44 82.33 1.98 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.9 t -56.98 144.93 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.03 143.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.3 167.14 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.499 HG21 ' HB ' ' A' ' 87' ' ' THR . 4.3 m -88.22 158.34 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -98.76 158.21 32.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.703 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 2.86 3.16 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.722 2.281 . . . . 0.0 112.296 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.3 t -134.94 34.82 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -110.66 13.71 22.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 13.3 t-20 62.49 38.23 12.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.5 mm -102.3 103.51 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.3 p -83.68 40.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HD2' ' CD1' ' A' ' 39' ' ' TRP . 27.8 mtp85 -150.56 146.94 26.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -100.08 147.6 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.408 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 6.4 m-70 71.36 52.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.499 ' HB ' HG21 ' A' ' 76' ' ' VAL . 53.2 m -119.42 155.93 31.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.461 ' N ' HG22 ' A' ' 87' ' ' THR . 13.1 p90 -145.97 131.29 18.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.0 OUTLIER -113.97 145.99 40.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.673 ' O ' HG23 ' A' ' 97' ' ' THR . . . -103.87 147.04 27.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 72' ' ' ARG . 1.1 tt0 -142.31 135.18 28.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 70' ' ' SER . 6.7 t-160 -100.03 -20.23 16.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 70.84 28.59 3.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -160.56 -33.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.462 HG23 ' ND1' ' A' ' 92' ' ' HIS . 94.9 t -107.46 -64.48 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 111.162 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.513 ' HD2' ' CZ ' ' A' ' 98' ' ' TYR . 15.3 ptp180 -172.92 -179.34 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 90' ' ' ALA . 92.6 m -125.36 109.63 13.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.513 ' CZ ' ' HD2' ' A' ' 96' ' ' ARG . 68.1 m-85 -82.38 159.39 23.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.507 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 59.2 m-85 -125.98 150.52 47.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.476 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 52.6 m-85 -156.19 116.4 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.4 t -95.47 161.56 14.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -132.76 135.47 45.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -51.85 -54.64 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.7 m -116.33 160.55 35.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.635 0.731 . . . . 0.0 110.892 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.408 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.8 -28.63 24.82 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.679 2.253 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -63.6 -31.32 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.13 -43.97 18.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -52.24 -56.27 15.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.53 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 8.4 pt-20 -60.37 -50.51 73.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.53 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -52.85 -44.48 66.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.492 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 38.1 m95 -62.16 -55.77 25.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 82.1 mt -45.72 -40.17 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -55.59 -45.5 77.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.84 -55.06 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 4.1 mtt -61.38 -61.26 2.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 119' ' ' ALA . . . -43.31 -55.11 5.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.43 -55.8 30.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.831 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.08 -15.59 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 116' ' ' GLY . . . -85.49 -41.22 15.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -74.6 128.2 34.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 31.2 t -111.5 91.6 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.5 p -124.15 134.89 53.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -126.06 134.3 51.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.98 -164.3 12.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -48.59 144.27 4.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.856 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 p -123.92 163.08 22.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.89 -123.14 1.39 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.446 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -94.77 -177.65 38.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.469 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 mtpt -143.29 113.69 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.767 0.317 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 26.0 mtt180 -146.32 174.0 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -118.75 45.46 2.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -49.92 -51.31 41.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.1 t -136.38 156.41 48.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.44 ' CE ' ' SG ' ' A' ' 50' ' ' CYS . 9.0 tpp -72.52 155.35 40.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.836 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.4 mtmm -129.19 173.36 10.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.75 ' NE ' HG11 ' A' ' 47' ' ' VAL . 10.2 tpt180 -138.48 155.05 48.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.424 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 35.9 m-80 -131.68 142.47 45.39 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.584 0.707 . . . . 0.0 110.891 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -38.22 7.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.252 . . . . 0.0 112.364 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -61.92 -41.09 97.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.95 122.95 24.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 111.105 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 130.6 19.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.735 2.29 . . . . 0.0 112.347 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.857 ' HA ' HG22 ' A' ' 47' ' ' VAL . 7.1 p -64.96 117.05 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.7 m -65.11 -60.0 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.542 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 41.3 tttp -152.74 132.22 12.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -131.57 138.68 48.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.11 150.67 12.54 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.482 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.488 ' CD1' ' CZ3' ' A' ' 43' ' ' TRP . 80.3 m95 -70.61 104.61 2.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.402 HD12 ' CD2' ' A' ' 44' ' ' PHE . 15.6 mt -104.9 178.27 4.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -122.73 103.27 8.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -77.33 158.23 30.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 39' ' ' TRP . 6.5 tt0 -106.36 134.51 49.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.12 118.93 28.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.24 -18.01 13.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' VAL . 47.6 t -121.76 148.87 44.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.28 -81.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.548 HG12 ' N ' ' A' ' 37' ' ' LYS . 50.5 t -73.69 160.93 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.937 0.399 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.548 ' N ' HG12 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -133.25 52.82 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.484 ' HG2' ' CG1' ' A' ' 36' ' ' VAL . 20.6 pt20 -166.84 136.13 2.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 31' ' ' GLN . 57.3 m95 -45.36 159.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -139.93 111.25 7.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -64.43 120.57 12.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.9 mmt85 -143.44 154.88 44.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 57' ' ' GLU . 49.3 t-105 -73.33 119.84 18.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CD2' HD21 ' A' ' 51' ' ' LEU . 4.1 m-85 -102.59 137.83 40.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -139.08 128.82 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.867 HD12 ' O ' ' A' ' 50' ' ' CYS . 63.3 tp -103.24 113.21 26.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.857 HG22 ' HA ' ' A' ' 22' ' ' VAL . 47.0 t -140.69 134.57 33.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.07 54.88 4.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 45.51 27.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.821 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.867 ' O ' HD12 ' A' ' 46' ' ' LEU . 97.3 m -131.53 159.11 39.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 44' ' ' PHE . 2.9 tt -105.76 134.05 49.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.431 ' N ' HD23 ' A' ' 51' ' ' LEU . 53.3 m-85 -135.98 119.47 16.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 63' ' ' LEU . 28.4 p90 -108.98 125.88 52.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.582 ' CE2' HG12 ' A' ' 62' ' ' ILE . 52.8 m-85 -114.77 138.15 51.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.725 ' N ' HD11 ' A' ' 63' ' ' LEU . 16.5 pttm -38.35 -37.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.441 ' HB2' ' CG ' ' A' ' 58' ' ' LYS . 18.2 m-20 -146.24 173.47 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.503 ' HA ' ' CD1' ' A' ' 43' ' ' TRP . 38.2 mt-10 -60.92 -27.63 68.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -46.92 -39.77 12.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.499 ' HG2' ' CD1' ' A' ' 54' ' ' TYR . 27.2 mt-10 61.25 42.59 11.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -62.74 -56.1 20.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.2 m -138.6 137.85 37.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.582 HG12 ' CE2' ' A' ' 54' ' ' TYR . 89.6 mt -67.9 125.23 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.725 HD11 ' N ' ' A' ' 55' ' ' LYS . 26.6 mt -78.77 -42.04 28.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -167.77 130.63 2.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.436 ' C ' HG13 ' A' ' 66' ' ' ILE . 19.5 p -99.69 148.83 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.846 -179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 65' ' ' SER . 47.7 mt -144.81 116.96 5.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 111.154 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.441 ' O ' ' CD1' ' A' ' 71' ' ' PHE . 53.7 Cg_endo -69.84 122.69 9.34 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.318 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -94.73 -31.43 13.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.729 HD23 ' N ' ' A' ' 70' ' ' SER . 0.7 OUTLIER -54.37 -12.98 0.77 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.729 ' N ' HD23 ' A' ' 69' ' ' LEU . 32.5 p -123.29 41.02 3.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' CD1' ' O ' ' A' ' 67' ' ' PRO . 14.6 m-85 -143.8 -179.3 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -134.63 88.87 2.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.4 142.85 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.84 151.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' VAL . . . -62.05 141.91 57.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 87' ' ' THR . 3.3 m -48.46 178.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.096 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -106.11 163.73 16.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 119.95 6.82 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t 75.0 40.46 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -87.24 18.21 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.4 m120 62.48 35.73 14.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 84' ' ' ARG . 28.0 mm -113.98 97.77 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 82' ' ' ILE . 17.4 m -38.24 -44.23 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.825 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 82' ' ' ILE . 36.3 mtp85 -65.51 175.56 1.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -116.98 -67.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.411 ' ND1' ' HB3' ' A' ' 105' ' ' PRO . 3.7 m-70 -72.49 83.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 88' ' ' PHE . 53.5 m -128.31 155.66 44.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD1' ' O ' ' A' ' 100' ' ' PHE . 7.6 p90 -146.45 131.06 17.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.592 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -120.92 145.53 47.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.693 ' O ' HG23 ' A' ' 97' ' ' THR . . . -103.64 154.76 19.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -151.0 132.7 14.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.825 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.634 ' ND1' HG23 ' A' ' 95' ' ' VAL . 4.5 t-80 -101.35 -16.09 17.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 92' ' ' HIS . . . 69.05 48.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 176.3 -27.37 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.634 HG23 ' ND1' ' A' ' 92' ' ' HIS . 46.3 t -109.74 -65.2 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.487 ' HD3' ' CZ ' ' A' ' 98' ' ' TYR . 9.8 ptm180 -175.24 -178.3 1.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.693 HG23 ' O ' ' A' ' 90' ' ' ALA . 32.2 m -127.44 104.29 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.487 ' CZ ' ' HD3' ' A' ' 96' ' ' ARG . 48.9 m-85 -79.42 155.5 28.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 16.9 m-85 -123.71 147.55 47.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 34.6 m-85 -155.25 124.26 6.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 33.3 t -109.9 169.63 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -134.79 132.72 39.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.78 -19.09 1.48 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 m -145.96 159.06 47.7 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.872 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.411 ' HB3' ' ND1' ' A' ' 86' ' ' HIS . 53.5 Cg_endo -69.79 -35.18 13.03 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -58.96 -34.58 71.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -77.54 -40.53 42.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -57.74 -52.25 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.2 pt-20 -61.27 -49.65 76.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.51 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -56.21 -47.46 78.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.542 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 30.2 m95 -55.82 -47.74 76.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 116' ' ' GLY . 96.7 mt -57.74 -41.28 79.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -52.07 -46.51 65.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.02 -54.66 5.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.494 ' SD ' HD12 ' A' ' 51' ' ' LEU . 4.9 mtt -61.87 -59.98 4.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -43.81 -51.98 6.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.78 -53.67 43.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.51 -30.19 19.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.77 -49.82 42.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -40.03 148.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.437 ' O ' HG12 ' A' ' 121' ' ' VAL . 98.8 t -96.71 -14.66 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -138.32 135.28 35.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -164.28 131.86 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.33 43.3 0.98 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.522 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -135.13 138.98 44.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.391 . . . . 0.0 110.82 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 m -126.16 108.5 11.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.03 -158.9 40.84 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 123.12 101.61 1.56 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.47 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -110.97 101.65 10.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mmm-85 -110.72 111.28 22.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 39.0 t -160.35 146.72 15.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.499 ' H ' ' CD2' ' A' ' 12' ' ' HIS . 4.7 p80 -109.36 83.48 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -145.93 161.74 39.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.909 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 95.4 mtp -135.47 178.12 7.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttt -165.28 169.16 16.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.596 ' HB3' HD11 ' A' ' 62' ' ' ILE . 17.8 ttt-85 -122.59 150.1 43.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.415 ' N ' ' HG2' ' A' ' 16' ' ' ARG . 51.9 m-80 -102.48 139.73 20.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -41.0 4.65 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.713 2.275 . . . . 0.0 112.329 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -59.62 -41.45 90.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.16 133.84 16.01 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.068 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 140.38 42.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.706 ' HA ' HG22 ' A' ' 47' ' ' VAL . 53.5 t -76.79 111.74 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.466 ' HB ' HD23 ' A' ' 46' ' ' LEU . 2.3 m -61.41 -56.57 18.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.512 ' HD3' ' CE3' ' A' ' 111' ' ' TRP . 31.1 tttp -159.12 142.66 14.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.679 ' HB1' ' CZ2' ' A' ' 43' ' ' TRP . . . -133.42 144.14 49.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.079 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 173.91 150.27 7.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.464 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -74.58 109.63 8.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.813 0.34 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -111.85 176.79 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -115.8 120.04 37.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 27.8 tttp -96.41 118.54 33.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.479 ' HG3' ' CZ2' ' A' ' 39' ' ' TRP . 5.7 tt0 -56.83 136.89 55.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.15 156.73 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 t -81.93 178.17 8.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.5 m -47.36 115.77 1.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.05 -94.69 0.17 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.5 m -87.04 156.06 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.908 0.385 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -107.17 106.08 16.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -174.42 174.05 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 84' ' ' ARG . 53.5 m95 -123.64 137.28 54.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -111.46 114.83 28.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -71.64 114.82 10.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -133.38 169.13 17.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.679 ' CZ2' ' HB1' ' A' ' 25' ' ' ALA . 66.9 t-105 -83.12 119.46 24.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.45 ' CD2' HD21 ' A' ' 51' ' ' LEU . 3.0 m-85 -105.09 138.43 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG2' ' NE1' ' A' ' 43' ' ' TRP . 88.5 t -140.26 128.53 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 50' ' ' CYS . 38.6 tp -103.94 114.2 28.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.955 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.706 HG22 ' HA ' ' A' ' 22' ' ' VAL . 3.9 t -144.16 130.63 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.1 t0 65.83 54.34 1.06 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.4 mtm-85 45.45 27.96 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.777 ' O ' HD12 ' A' ' 46' ' ' LEU . 68.3 m -135.89 158.33 44.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.662 ' HB2' HD11 ' A' ' 68' ' ' LEU . 3.0 tt -104.16 143.12 33.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' N ' HD23 ' A' ' 51' ' ' LEU . 47.4 m-85 -139.52 119.23 13.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.539 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 13.9 p90 -107.31 118.32 36.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 59' ' ' GLU . 88.1 m-85 -104.22 179.46 4.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.419 ' HB3' HD11 ' A' ' 63' ' ' LEU . 16.6 pttm -80.2 -31.29 38.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -156.57 179.79 8.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -58.82 -14.89 10.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 59' ' ' GLU . 41.6 mttp -72.66 -25.14 61.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 54' ' ' TYR . 0.2 OUTLIER 32.82 54.99 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.834 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -62.55 -63.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.3 m -124.72 132.17 53.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.596 HD11 ' HB3' ' A' ' 16' ' ' ARG . 88.9 mt -58.3 115.31 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.092 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 53' ' ' TYR . 28.2 mt -74.51 -38.55 62.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.466 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -170.29 119.62 0.82 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.437 ' C ' HG13 ' A' ' 66' ' ' ILE . 12.4 t -91.32 160.96 15.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.831 0.348 . . . . 0.0 110.87 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.437 HG13 ' C ' ' A' ' 65' ' ' SER . 73.8 mt -148.22 115.94 4.0 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.615 0.721 . . . . 0.0 111.151 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 105.8 1.55 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.725 2.284 . . . . 0.0 112.33 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 51' ' ' LEU . 91.0 mt -83.65 -30.25 27.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' CD1' HG22 ' A' ' 121' ' ' VAL . 5.4 tp -50.03 -16.82 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.582 ' O ' ' CD2' ' A' ' 92' ' ' HIS . 36.4 t -118.14 33.14 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CZ ' ' HB3' ' A' ' 92' ' ' HIS . 21.9 m-85 -141.4 165.02 28.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -126.33 95.09 4.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.813 HG21 ' HB3' ' A' ' 115' ' ' MET . 12.7 t -69.94 128.52 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.11 135.22 13.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.82 159.39 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 87' ' ' THR . 0.2 OUTLIER -72.97 178.57 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.524 ' NE2' ' HD2' ' A' ' 78' ' ' PRO . 2.7 mm100 -107.09 165.15 13.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.524 ' HD2' ' NE2' ' A' ' 77' ' ' GLN . 53.5 Cg_endo -69.83 -12.86 33.61 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 m -128.04 53.01 1.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -117.24 169.1 9.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.54 ' O ' HD13 ' A' ' 82' ' ' ILE . 8.5 m120 -83.15 49.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 81' ' ' ASN . 49.2 mm -133.36 90.69 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t -44.85 -38.9 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 39' ' ' TRP . 50.6 mtt85 -60.6 171.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -109.91 -66.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -74.18 79.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 76' ' ' VAL . 18.5 m -130.73 153.15 49.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 100' ' ' PHE . 8.7 p90 -144.89 131.29 19.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -122.4 137.03 55.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.444 ' HB1' ' HB3' ' A' ' 71' ' ' PHE . . . -100.71 120.03 39.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.0 pm0 -106.78 138.88 42.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 70' ' ' SER . 7.6 t-80 -132.84 78.46 1.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 92' ' ' HIS . . . -34.97 93.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 92' ' ' HIS . . . 151.79 -26.87 0.93 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.6 t -127.61 -75.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.779 0.323 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -169.1 -175.92 2.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 60.3 m -125.45 109.51 12.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 58.9 m-85 -78.82 151.25 32.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 89' ' ' LYS . 12.3 m-85 -123.34 138.93 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 29.3 m-85 -140.79 125.08 17.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t -110.09 147.02 34.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -117.29 151.19 37.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.077 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -66.58 -41.11 89.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 m -125.51 158.98 62.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.749 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 -21.21 33.56 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.289 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -71.16 -35.75 71.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -77.81 -40.3 40.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -57.52 -59.55 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.487 ' CG ' ' N ' ' A' ' 110' ' ' ALA . 7.0 pt-20 -55.07 -47.96 74.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.487 ' N ' ' CG ' ' A' ' 109' ' ' GLU . . . -58.35 -45.13 88.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.512 ' CE3' ' HD3' ' A' ' 24' ' ' LYS . 26.4 m95 -58.46 -41.87 86.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 116' ' ' GLY . 97.4 mt -62.07 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -47.22 -43.79 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.06 -53.38 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.813 ' HB3' HG21 ' A' ' 73' ' ' VAL . 6.2 mtt -59.51 -63.89 1.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 112' ' ' ILE . . . -44.71 -48.26 9.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -70.12 -32.71 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.71 -12.75 55.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' A' ' 71' ' ' PHE . . . -97.72 -25.06 15.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.071 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -89.74 134.03 34.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.436 HG22 ' CD1' ' A' ' 69' ' ' LEU . 25.1 t -85.05 76.86 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.975 . . . . . . . . 0 0 . 1 stop_ save_