data_1vd2_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 1vd2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.836 0.35 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -72.03 134.5 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -73.04 116.38 13.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 t -123.07 127.94 74.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 117.08 29.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.563 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.7 161.91 19.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.447 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 2.7 m-85 -141.13 81.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.619 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 26.6 t80 -90.97 111.07 22.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.686 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 57.0 21.12 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.7 49.14 2.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.588 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 30.8 t70 -142.27 120.48 12.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.773 0.32 . . . . 0.0 110.778 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.563 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -84.01 130.78 35.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.29 136.44 52.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.4 mm -85.69 101.19 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.197 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 t -134.49 128.64 33.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -117.63 140.18 50.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.023 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -120.75 158.86 26.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.764 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.595 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -71.36 157.56 89.8 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.53 -18.0 61.42 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.4 2.067 . . . . 0.0 112.216 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -111.58 42.8 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.595 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 1.2 tp -97.38 146.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.496 ' N ' HG13 ' A' ' 36' ' ' ILE . 60.3 p -109.77 171.16 7.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.577 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -74.66 -26.98 60.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -43.72 98.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.97 -18.44 65.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD11 HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -70.7 -14.71 62.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.44 -40.69 29.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.748 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -76.51 -23.61 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.52 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -40.04 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.727 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.619 HG13 ' HE1' ' A' ' 48' ' ' MET . 62.5 t -69.46 -37.62 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -76.64 -22.07 54.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.851 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 1.5 t0 -76.13 -43.23 44.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.842 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.619 ' HE1' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -74.37 -32.96 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.23 -10.26 50.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m 57.33 89.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -116.62 -168.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.761 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.441 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -88.36 13.69 11.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.441 HD21 ' C ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER 55.7 25.4 8.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.144 179.38 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -165.08 -0.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.8 152.96 44.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.951 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.31 143.29 28.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.692 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.476 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 10.3 p90 -168.65 152.03 5.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -127.43 114.75 17.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.388 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.517 ' HG2' ' HA ' ' A' ' 96' ' ' VAL . 50.0 mtm -90.65 164.5 14.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.289 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.547 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 4.6 mttt -146.37 105.31 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.68 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.663 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 10.3 p-90 -63.05 124.23 20.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.323 0.582 . . . . 0.0 111.163 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.675 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -68.13 147.4 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.041 -179.53 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.689 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -80.93 -157.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -83.47 -21.37 32.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -106.83 4.55 27.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.052 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.675 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 91.91 59.85 1.3 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.689 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 44.9 m-20 -130.25 92.75 35.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.585 0.231 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.547 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.1 Cg_exo -64.24 109.06 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.734 2.29 . . . . 0.0 111.669 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.8 t -115.43 148.98 38.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.145 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.14 121.01 3.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.45 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.758 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 5.4 p -107.57 20.71 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.113 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 t -80.51 59.26 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.673 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 14.0 t -160.4 143.3 13.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.765 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -36.1 81.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.91 -17.87 49.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.758 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.4 OUTLIER -66.17 -56.22 12.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.84 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.419 HD21 HD11 ' A' ' 41' ' ' LEU . 2.8 tp -68.79 -29.02 67.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.991 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -37.81 87.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.077 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.23 -28.64 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.764 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.551 ' HB3' HD23 ' A' ' 92' ' ' LEU . . . -72.26 -38.21 68.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.388 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.1 -37.09 84.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.305 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -29.49 63.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.502 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.628 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.824 0.345 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -72.13 102.14 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.678 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.476 ' C ' HG13 ' A' ' 94' ' ' ILE . 1.5 mp -107.78 144.84 34.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.663 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 8.5 mt -143.7 154.98 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.657 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.403 ' N ' HG23 ' A' ' 94' ' ' ILE . 3.7 m-70 -114.35 107.44 15.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.619 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.2 t -78.19 124.26 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.565 ' HB2' ' O ' ' A' ' 58' ' ' THR . 71.8 m-85 -118.85 131.46 24.31 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.048 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.54 115.24 4.21 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.506 2.138 . . . . 0.0 112.344 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.476 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.774 0.321 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.48 HG21 ' N ' ' A' ' 18' ' ' ARG . 7.7 p -76.67 139.95 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.028 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.48 ' N ' HG21 ' A' ' 17' ' ' VAL . 16.0 ttp-105 -76.18 111.82 12.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.772 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 92' ' ' LEU . 78.3 t -121.11 129.42 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB2' ' HG ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -114.48 115.71 27.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.674 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.63 158.24 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.427 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.8 OUTLIER -144.26 73.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 30.7 t80 -83.54 107.03 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.39 22.95 6.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.5 32.98 5.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -119.68 113.84 21.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 110.722 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -84.18 105.8 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.192 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.587 ' HE3' ' HG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -111.57 129.74 55.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -78.61 119.29 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.055 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.456 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.2 t -148.78 130.67 15.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.037 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -116.85 135.75 53.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -117.1 166.76 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.414 ' O ' HG21 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -97.47 155.29 37.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -77.94 33.71 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.545 2.163 . . . . 0.0 112.624 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.27 11.53 1.53 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.414 HG21 ' O ' ' A' ' 33' ' ' GLU . 16.0 tt -104.51 143.68 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 p -90.38 177.87 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -76.02 -28.01 57.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.29 -45.39 88.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.716 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.7 -24.92 71.11 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.207 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -14.31 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.59 -36.53 37.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.275 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -79.18 -24.89 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.347 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -73.89 -40.69 63.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.746 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.495 HG12 ' HE1' ' A' ' 48' ' ' MET . 72.8 t -69.46 -39.68 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.668 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -76.33 -19.36 58.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.829 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -78.4 -34.13 48.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.738 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.495 ' HE1' HG12 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -88.35 -20.83 24.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.966 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.587 ' HG ' ' HE3' ' A' ' 28' ' ' MET . 5.6 t -100.79 -4.11 28.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.1 m 57.24 89.51 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.668 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 3.1 m-85 -117.99 -170.75 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.649 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.477 ' C ' HD21 ' A' ' 53' ' ' ASN . 20.1 m-20 -91.58 10.98 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.618 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.477 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.2 m-80 63.72 0.72 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.755 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -142.61 2.61 1.42 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.882 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.52 152.3 45.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.823 0.344 . . . . 0.0 110.979 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.82 140.89 33.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.464 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 6.9 p90 -168.64 130.24 1.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.807 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 17.1 m -104.1 119.0 38.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 0.0 111.47 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -94.78 167.91 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.75 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.495 ' HG2' ' N ' ' A' ' 70' ' ' THR . 17.0 mttt -145.22 102.77 3.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.786 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.723 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 10.6 p-90 -60.98 122.25 14.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.159 0.504 . . . . 0.0 111.504 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.627 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -68.12 146.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.964 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.601 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.6 OUTLIER -81.31 -168.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.894 -179.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -77.61 -10.06 59.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.01 -0.69 12.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.788 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.627 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 95.35 55.94 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.383 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.601 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 22.9 m-20 -128.33 91.39 44.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.644 0.259 . . . . 0.0 111.163 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.478 ' HG3' HG13 ' A' ' 62' ' ' ILE . 38.1 Cg_exo -60.85 117.29 4.04 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.783 2.322 . . . . 0.0 111.637 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -114.59 137.91 51.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.776 0.322 . . . . 0.0 111.143 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.495 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 3.9 m -54.71 117.25 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.427 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 p -118.47 118.12 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 p -151.52 38.01 0.61 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.75 160.77 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -72.48 -33.25 66.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.02 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.36 -24.79 34.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.194 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -61.87 -59.78 4.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.82 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -28.33 69.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.243 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 2.7 tt0 -66.7 -34.47 77.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.333 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -73.19 -28.45 62.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.717 179.393 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -69.66 -37.76 76.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.864 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.489 ' HA ' HD12 ' A' ' 92' ' ' LEU . 4.5 m-85 -66.18 -45.84 79.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -35.18 73.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.732 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.886 0.374 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -72.3 92.76 1.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.826 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.528 ' C ' HG13 ' A' ' 94' ' ' ILE . 3.3 mp -106.01 149.13 26.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.723 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 4.5 mt -145.36 152.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.531 ' N ' HG21 ' A' ' 94' ' ' ILE . 4.4 m-70 -110.85 107.07 16.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.521 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 46.7 t -79.44 120.9 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.998 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.546 ' HB2' ' O ' ' A' ' 58' ' ' THR . 60.0 m-85 -116.52 122.49 31.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.34 117.72 4.94 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.53 2.153 . . . . 0.0 112.386 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.464 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 4.8 t . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.18 -0.914 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 9.6 pt20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.925 0.393 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 p -72.91 132.3 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.144 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -71.78 116.71 12.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.63 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.453 HG11 ' O ' ' A' ' 92' ' ' LEU . 85.6 t -128.83 142.47 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.47 ' HB2' HD12 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -130.6 116.72 18.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.691 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.05 163.56 19.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.261 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.416 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 2.0 m-85 -142.44 74.28 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.98 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.569 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 22.7 t80 -83.86 109.5 17.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.671 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 55.92 26.89 10.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 38.91 6.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.643 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.3 m-20 -129.62 119.41 23.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.335 . . . . 0.0 110.785 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -82.18 130.36 35.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.251 -179.889 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.49 123.6 36.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mm -79.25 105.71 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 t -138.42 136.28 36.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 16' ' ' GLN . 2.4 m-70 -118.88 135.68 54.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -120.39 178.92 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.62 150.42 69.85 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.739 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.27 -9.27 25.37 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.464 2.109 . . . . 0.0 112.401 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.11 47.04 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.8 tt -104.71 149.35 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.7 m -100.32 167.18 10.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -70.48 -27.48 64.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.765 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.9 -41.95 88.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.52 -21.45 58.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.598 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.26 -11.53 59.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.81 0.338 . . . . 0.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.4 t -81.78 -43.39 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.799 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -71.6 -25.63 62.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.512 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.98 -43.6 53.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.787 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 HG12 ' SD ' ' A' ' 59' ' ' MET . 56.8 t -67.65 -40.74 84.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.503 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -70.64 -25.06 62.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.789 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -70.24 -49.27 51.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -28.4 60.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t -88.56 -9.08 53.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.974 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 t 59.39 95.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.012 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.503 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 12.4 m-85 -131.14 -179.59 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.69 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -90.67 14.32 13.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.447 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 59.37 13.18 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.202 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -141.29 -12.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 158.55 6.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.17 139.41 39.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.544 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 6.2 p90 -169.04 139.19 2.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -113.56 114.17 26.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.472 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.507 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 9.5 mtm -100.67 138.12 38.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.55 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.496 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -123.77 116.56 23.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 -179.788 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.712 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 11.4 p-90 -57.75 122.85 13.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.397 0.618 . . . . 0.0 111.765 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 93' ' ' LEU . 6.8 mt -71.36 133.63 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.213 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.43 178.95 6.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.66 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.86 -31.49 72.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.772 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -92.25 -2.17 56.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.476 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 92.44 61.8 1.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.171 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.8 88.45 46.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.622 0.249 . . . . 0.0 111.155 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.496 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 32.0 Cg_exo -58.73 95.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.49 2.127 . . . . 0.0 111.715 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.481 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 12.5 m -96.85 134.15 40.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.3 109.87 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.486 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.84 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.2 p -94.14 26.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.063 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.6 56.9 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.592 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 13.4 t -162.15 142.9 10.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.577 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -63.61 -32.3 73.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.85 -21.66 37.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.197 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.84 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 3.2 tp10 -64.28 -47.66 78.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.477 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.44 -33.09 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.342 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -40.34 93.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.448 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -66.68 -32.27 73.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.178 179.574 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.534 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -62.74 -41.21 99.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.457 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.34 -38.78 90.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.175 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -68.11 -21.59 64.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.51 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.204 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.926 0.393 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.453 ' O ' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -71.98 99.95 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' A' ' 62' ' ' ILE . 1.6 mp -109.43 149.54 29.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.526 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.712 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 34.0 mt -146.3 155.51 12.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.507 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -113.1 107.26 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.783 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.569 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 58.6 t -78.62 116.41 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.956 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.549 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.4 m-85 -113.9 117.54 43.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.127 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.25 107.98 2.25 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.427 2.085 . . . . 0.0 112.337 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.544 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.807 0.337 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 p -72.57 132.45 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 18' ' ' ARG . 7.0 ttp180 -74.04 119.64 18.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 20' ' ' LYS . 48.4 t -128.09 138.41 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.502 ' HB3' HG23 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -126.46 117.6 23.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.883 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -81.48 154.19 26.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.476 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 4.9 m-85 -130.35 78.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.475 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.655 ' HH ' ' HB3' ' A' ' 98' ' ' PRO . 43.9 t80 -83.88 106.87 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.812 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.57 18.41 7.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.33 41.36 3.01 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.731 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -135.48 119.27 17.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.66 0.267 . . . . 0.0 110.799 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -78.08 128.43 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.07 133.2 53.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.73 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.3 mm -81.21 107.57 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -140.88 125.53 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.292 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -118.91 144.92 46.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -123.47 171.04 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.4 153.08 73.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.659 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.2 12.44 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.523 2.148 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.52 31.9 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.5 tt -97.57 149.52 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 m -95.83 160.42 14.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.55 -21.62 66.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -55.52 33.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.952 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.45 -15.83 68.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.585 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.82 -17.47 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.6 t -70.51 -48.52 55.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 6.1 t30 -71.02 -24.85 62.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.287 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -41.15 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.696 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.503 HG12 ' HE1' ' A' ' 48' ' ' MET . 86.4 t -71.76 -41.79 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.422 ' CG ' ' HA ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -70.85 -17.87 62.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.887 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 16.6 t0 -76.47 -50.97 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.503 ' HE1' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -76.41 -26.2 55.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.266 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.36 -12.47 34.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.71 92.86 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -126.46 -170.79 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.753 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -93.94 16.71 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.802 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.438 HD21 ' N ' ' A' ' 53' ' ' ASN . 0.9 OUTLIER 55.1 23.46 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.151 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.84 -3.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.98 158.71 24.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.009 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.477 HD11 ' H ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -98.03 139.2 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.077 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.477 ' H ' HD11 ' A' ' 56' ' ' LEU . 11.4 p90 -169.87 153.63 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.557 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 5.0 m -133.38 115.47 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.016 0.436 . . . . 0.0 111.796 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -90.98 162.23 14.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.318 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.495 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 12.2 mttt -144.22 103.77 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.922 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.766 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 8.0 p-90 -59.73 123.34 16.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.227 0.537 . . . . 0.0 111.036 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.585 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -67.9 146.61 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.091 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.724 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -81.79 -161.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.07 -20.97 47.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.63 15.56 21.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.585 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 81.12 60.68 2.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.529 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.724 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 30.5 m-20 -130.52 89.07 45.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 110.993 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.495 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 31.8 Cg_exo -59.1 110.98 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.633 2.222 . . . . 0.0 111.984 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.5 t -110.69 143.7 40.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.0 p -48.06 103.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.556 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.405 ' HB ' ' HD1' ' A' ' 61' ' ' TRP . 6.1 p -99.82 19.72 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.77 55.44 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' A' ' 76' ' ' GLU . 0.7 OUTLIER -154.22 162.74 40.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -77.11 -37.87 53.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.52 -24.65 36.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 73' ' ' SER . 0.1 OUTLIER -59.84 -60.95 3.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.74 -29.29 70.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.087 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -34.29 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.993 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.483 ' HG2' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -72.47 -31.8 65.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.598 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.483 ' N ' ' HG2' ' A' ' 79' ' ' GLU . . . -64.6 -39.98 94.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.716 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -70.89 -30.81 67.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.337 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -66.23 -30.15 70.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.199 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.411 179.625 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.847 0.356 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.53 109.85 21.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.747 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.515 ' C ' HG13 ' A' ' 94' ' ' ILE . 64.0 mt -112.83 148.21 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.811 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.766 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 5.4 mt -144.28 162.04 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.655 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.46 ' N ' HG21 ' A' ' 94' ' ' ILE . 1.4 m-70 -122.24 106.81 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.382 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 24.4 t -79.11 128.38 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.392 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' A' ' 58' ' ' THR . 79.1 m-85 -121.51 130.24 24.87 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.655 ' HB3' ' HH ' ' A' ' 23' ' ' TYR . 72.1 Cg_endo -76.7 111.02 3.16 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.429 2.086 . . . . 0.0 112.345 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.456 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 1.2 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 25.6 mt-30 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.776 0.322 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 18' ' ' ARG . 7.1 p -78.43 139.47 18.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' N ' HG21 ' A' ' 17' ' ' VAL . 10.2 ttp180 -79.53 115.94 19.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 42.5 t -128.28 134.15 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.237 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HZ3' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -122.71 117.42 25.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.632 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -81.95 157.12 24.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -131.89 78.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.526 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.518 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 61.5 t80 -83.56 104.76 13.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.953 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.09 29.23 12.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 53.67 2.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.551 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.48 117.49 5.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.369 . . . . 0.0 110.772 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.566 HG23 ' HZ3' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -82.15 129.88 36.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.473 ' HE3' ' SD ' ' A' ' 48' ' ' MET . 1.5 mpp? -127.52 134.1 49.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.79 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mm -78.17 115.32 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.324 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.8 t -149.2 128.33 12.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.026 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -118.7 147.72 43.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.984 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 41.2 m-85 -128.43 -174.11 3.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -101.54 151.25 37.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.37 -7.69 12.89 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.715 2.277 . . . . 0.0 112.202 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 t -131.11 58.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.996 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.7 tt -125.38 144.74 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.13 156.59 19.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 40.4 t80 -67.67 -20.41 65.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -60.64 -41.33 94.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.701 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.35 -24.11 69.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.327 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -11.62 55.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 0.0 110.843 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 t -77.84 -52.58 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -69.46 -29.28 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.96 -54.29 32.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.451 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.829 HG13 ' HE1' ' A' ' 48' ' ' MET . 43.1 t -61.11 -35.56 66.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.401 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 1.1 ttp180 -68.55 -29.61 68.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.712 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.24 -31.93 60.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.319 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.829 ' HE1' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.21 -13.01 33.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.084 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 t -105.75 -10.01 16.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.8 m 59.58 93.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.482 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 14.9 m-85 -124.89 -166.16 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.452 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -99.36 14.75 28.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.757 179.609 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.452 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 61.7 7.53 1.97 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.393 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.85 -2.12 1.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.743 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.37 152.98 32.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.99 137.6 40.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.574 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.3 p90 -169.24 146.66 3.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.533 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 6.2 m -127.66 121.81 31.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.125 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.456 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 2.6 mtm -103.11 151.93 21.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.753 ' HE2' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -130.17 116.7 18.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.382 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.793 ' H ' HG12 ' A' ' 71' ' ' VAL . 15.4 p-90 -59.74 121.47 11.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.339 0.59 . . . . 0.0 111.903 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.505 ' CG2' ' HA2' ' A' ' 66' ' ' GLY . 4.0 mt -67.84 130.54 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.594 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 5.5 t0 -71.3 -159.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.67 -41.07 27.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.957 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -91.66 11.51 24.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.505 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 85.03 64.32 1.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.594 ' HB3' ' HB2' ' A' ' 63' ' ' ASP . 26.1 t0 -130.96 85.38 55.24 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-O 120.608 0.242 . . . . 0.0 111.302 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.477 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 46.7 Cg_exo -56.29 95.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.55 2.167 . . . . 0.0 112.096 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.432 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 10.5 t -85.19 128.1 34.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.653 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.753 HG23 ' HE2' ' A' ' 60' ' ' LYS . 5.1 m -53.53 107.92 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.416 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.793 HG12 ' H ' ' A' ' 61' ' ' TRP . 2.6 p -114.41 118.0 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.908 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.423 ' HA ' ' CE2' ' A' ' 38' ' ' PHE . 11.3 m -149.65 21.47 0.91 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -127.17 153.15 46.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.803 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -66.16 -29.07 69.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.34 -22.69 35.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.27 -55.31 14.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.65 -29.3 69.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.022 0.439 . . . . 0.0 109.999 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.42 -37.59 87.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.987 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.504 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -70.09 -29.73 66.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.712 179.147 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.504 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -65.14 -33.06 75.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.593 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -71.62 -42.37 67.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.581 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -37.66 84.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.727 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.127 -179.897 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.868 0.366 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.3 111.15 7.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.417 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.454 ' HB3' HD12 ' A' ' 62' ' ' ILE . 47.1 mt -111.45 148.59 32.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.928 0.394 . . . . 0.0 111.263 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.7 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 19.1 mt -146.07 154.75 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.16 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.456 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -113.57 106.8 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.675 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 10.8 t -77.01 122.91 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.815 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.533 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.3 m-85 -119.82 120.88 30.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.436 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.52 107.3 2.27 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.561 2.174 . . . . 0.0 112.231 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.574 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 33.9 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 18.5 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.98 130.89 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.991 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 -75.62 122.91 24.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.714 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 87.7 t -130.23 140.12 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.369 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.621 ' HD3' HD13 ' A' ' 93' ' ' LEU . 3.2 mttt -127.31 114.11 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.664 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -88.97 162.72 15.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.373 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.48 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 13.0 m-85 -133.1 76.23 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.506 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.523 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 8.3 t80 -83.35 112.43 19.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.661 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 55.4 28.94 12.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.981 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.32 48.34 5.11 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -142.5 119.54 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.733 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -81.55 113.99 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.13 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mtm -112.57 130.62 55.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mm -80.37 115.74 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 t -144.42 127.94 17.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -114.67 137.99 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 50.4 m-85 -119.83 -179.24 3.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.473 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 3.4 pm0 -107.68 151.62 41.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.06 -10.86 16.26 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.535 2.157 . . . . 0.0 112.623 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.08 48.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 111.249 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.473 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 9.4 tt -130.7 150.42 34.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.015 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.52 -174.88 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -78.89 -15.37 58.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.98 -58.66 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.52 -14.38 62.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.403 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' HG21 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -69.57 -11.47 60.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.755 0.312 . . . . 0.0 110.891 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.0 t -78.96 -54.43 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -69.48 -31.5 69.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.3 -54.81 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.649 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 41' ' ' LEU . 76.1 t -63.83 -39.19 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.616 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -61.88 -23.62 66.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.688 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.22 -43.6 27.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.407 ' HE1' HG11 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -83.77 -1.24 53.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.6 m -117.58 -19.92 9.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.6 m 58.93 92.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -123.34 -166.01 1.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.65 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' C ' HD21 ' A' ' 53' ' ' ASN . 11.2 m-20 -93.34 14.45 18.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.608 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.463 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 62.25 5.84 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.3 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 7.0 mt-10 -141.7 -5.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.626 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.92 150.46 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.43 138.75 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.01 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.485 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 4.9 p90 -164.92 130.78 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.607 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 1.3 m -105.14 118.85 37.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.571 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.412 ' H ' ' HG3' ' A' ' 59' ' ' MET . 0.0 OUTLIER -89.79 166.79 13.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.504 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 56.9 mttt -143.9 103.32 4.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.716 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.547 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 11.5 p-90 -60.95 123.99 19.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.176 0.512 . . . . 0.0 111.353 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.546 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -67.87 144.94 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.903 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.492 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 3.5 m-20 -85.5 -172.92 4.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -68.01 -17.41 64.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -111.62 18.88 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.546 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 71.54 54.32 8.84 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.371 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' A' ' 63' ' ' ASP . 8.2 t70 -123.51 92.44 48.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 110.993 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.526 ' HG3' HG13 ' A' ' 62' ' ' ILE . 32.3 Cg_exo -61.82 104.99 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.668 2.246 . . . . 0.0 111.881 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.5 t -111.82 152.26 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.975 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -44.78 125.43 4.97 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.45 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 p -125.16 23.21 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -80.9 57.27 3.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.29 142.93 13.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.54 -30.86 71.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -23.34 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.88 -54.17 30.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tp -66.34 -25.69 66.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.983 0.42 . . . . 0.0 110.068 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -35.79 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.203 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -73.32 -23.83 60.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.858 179.346 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -74.1 -36.11 64.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.786 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.7 -45.1 72.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.716 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -36.72 81.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.707 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.702 0.287 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -73.28 114.95 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.621 HD13 ' HD3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -117.88 145.65 44.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.63 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.547 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 15.4 mt -144.97 157.04 13.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.694 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.509 ' N ' HG22 ' A' ' 94' ' ' ILE . 4.4 m-70 -116.71 107.18 14.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.689 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 61.8 t -77.51 123.41 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 58' ' ' THR . 69.4 m-85 -118.71 116.44 34.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.481 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 48.2 Cg_endo -68.82 114.99 3.73 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.412 2.075 . . . . 0.0 112.163 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.485 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 2.2 pt20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.839 0.352 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 17' ' ' VAL . 8.1 p -82.64 136.12 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.42 HH11 ' NE2' ' A' ' 31' ' ' HIS . 10.4 mtt-85 -75.8 116.34 16.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 92' ' ' LEU . 90.7 t -126.04 139.97 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.458 ' HG2' HG21 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -128.85 108.32 10.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.6 163.06 23.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.492 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -136.32 79.79 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.667 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 45.8 t80 -83.69 100.4 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 56.77 29.48 16.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.78 37.32 5.28 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.583 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.438 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.2 OUTLIER -126.56 111.13 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.458 HG21 ' HG2' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -78.32 112.37 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.438 ' SD ' ' HB3' ' A' ' 26' ' ' ASP . 2.9 mpp? -114.98 111.78 21.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.86 97.43 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.041 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.2 t -127.98 138.75 52.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.832 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.42 ' NE2' HH11 ' A' ' 18' ' ' ARG . 2.7 m-70 -116.54 145.82 43.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.371 . . . . 0.0 111.102 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.506 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 20.1 m-85 -128.41 -167.99 1.85 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.807 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -91.94 155.15 43.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.24 -15.89 52.19 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.436 2.091 . . . . 0.0 112.307 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 m -118.27 41.76 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.807 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.46 HG12 HD13 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -91.48 148.28 4.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.243 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.34 175.14 5.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.777 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -73.57 -34.27 65.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 5.4 pt-20 -56.61 -39.71 74.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.781 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . -84.69 -26.96 36.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.3 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.67 HD21 HD13 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -66.98 -17.3 64.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 0.0 110.759 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -40.29 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.216 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.1 -20.66 59.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.401 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -78.14 -50.63 11.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.411 HG22 ' HE1' ' A' ' 59' ' ' MET . 79.1 t -64.62 -28.59 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.721 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -31.23 54.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -72.4 -29.13 63.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.173 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.21 -31.64 16.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.177 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.7 t -87.36 -13.34 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.143 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.22 82.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -103.16 -173.61 2.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -87.68 15.55 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.526 179.578 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.526 HD21 ' N ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER 58.01 24.02 10.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.951 179.417 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -162.74 5.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.76 151.41 36.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.068 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -100.75 144.52 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -174.82 142.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.649 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -122.5 119.92 32.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.296 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.411 ' HE1' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -88.79 167.53 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.555 179.649 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.562 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 68.4 mttt -148.02 103.75 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.105 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.799 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 18.9 p-90 -61.99 120.38 10.69 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.33 0.586 . . . . 0.0 111.009 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.607 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -68.34 148.47 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.153 -179.502 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.488 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -81.15 -151.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.951 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -85.95 -29.86 23.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.223 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.67 4.44 38.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.607 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 95.82 64.52 0.96 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.488 ' H ' ' H ' ' A' ' 63' ' ' ASP . 1.2 t0 -130.65 89.21 44.27 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.551 0.215 . . . . 0.0 111.233 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.562 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.6 Cg_exo -63.13 110.17 1.11 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.681 2.254 . . . . 0.0 111.808 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.6 t -110.23 138.66 46.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.486 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -52.44 110.01 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.423 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.759 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 7.4 p -95.7 26.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -79.49 45.41 0.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.1 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.04 143.69 23.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -43.72 98.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -22.47 62.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.759 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 1.2 tp10 -64.5 -61.26 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.67 HD13 HD21 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -62.78 -27.21 69.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.965 0.412 . . . . 0.0 110.053 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -33.79 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.999 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.04 -27.42 61.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.7 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.02 87.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.678 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -66.07 -40.65 91.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.497 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -30.86 69.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.263 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.309 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.846 0.355 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -93.18 99.43 12.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.675 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.416 ' C ' HG13 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -95.94 140.7 30.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.799 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 13.4 mt -144.43 157.02 14.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.508 ' N ' HG21 ' A' ' 94' ' ' ILE . 5.9 m-70 -121.61 107.25 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 3.7 t -78.23 126.02 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.643 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' THR . 69.7 m-85 -120.55 122.63 28.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.387 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.47 131.93 19.73 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.527 2.151 . . . . 0.0 112.302 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.863 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.868 0.366 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.93 137.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.212 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -79.77 114.65 18.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.0 143.76 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.026 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.29 126.09 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.581 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.578 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.14 162.16 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.392 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -142.39 71.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.269 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.587 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 36.1 t80 -86.25 105.63 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.043 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.593 ' HE ' ' HG3' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 53.04 32.96 13.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.05 44.7 4.68 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.74 109.13 8.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.725 0.297 . . . . 0.0 110.732 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.578 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -87.75 105.19 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.5 mtt -106.82 140.52 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.0 mm -86.13 109.91 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.62 125.58 29.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.823 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -114.36 137.92 51.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -119.65 -177.37 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' O ' HG23 ' A' ' 36' ' ' ILE . 5.1 mt-10 -114.14 154.24 46.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.572 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -78.74 40.04 0.87 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.517 2.145 . . . . 0.0 112.63 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -154.27 17.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.443 HG23 ' O ' ' A' ' 33' ' ' GLU . 3.8 tt -106.93 147.0 12.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.206 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.4 p -96.16 175.77 6.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -79.74 -17.29 53.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.22 -42.92 99.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.064 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.3 -16.32 67.07 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.614 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.494 HD22 HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -67.38 -11.41 57.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.764 0.316 . . . . 0.0 111.071 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.5 t -77.52 -44.63 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.408 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 10.9 m-20 -75.02 -23.69 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.635 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.49 -43.08 51.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.672 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.805 HG13 ' HE1' ' A' ' 48' ' ' MET . 48.1 t -67.91 -36.32 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.945 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.556 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -77.56 -23.82 49.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.971 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.92 -37.04 70.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.805 ' HE1' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -81.99 -30.86 31.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.24 -7.17 45.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.11 90.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.556 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 8.5 m-85 -121.97 -177.63 3.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.736 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.485 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.3 OUTLIER -87.77 9.46 21.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.485 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 59.94 8.24 1.37 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.631 179.245 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -140.65 -7.6 1.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.05 170.19 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.264 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.78 142.58 40.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -169.49 158.92 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -139.59 114.83 9.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.429 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.528 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 12.5 mtm -88.89 162.31 16.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.623 ' HE2' ' HG1' ' A' ' 70' ' ' THR . 1.0 OUTLIER -139.4 104.28 4.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -179.717 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.531 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 7.9 p-90 -69.27 142.14 54.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.5 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -81.4 136.0 23.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.408 ' HB3' ' H ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -73.87 -156.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.099 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.408 ' H ' ' HB3' ' A' ' 63' ' ' ASP . 10.3 mt-10 -78.12 -24.45 47.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -107.6 14.57 25.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.98 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.5 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 78.78 60.37 2.62 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.344 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.89 91.17 47.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.585 0.231 . . . . 0.0 111.112 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.423 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 28.0 Cg_exo -61.84 88.18 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.582 2.188 . . . . 0.0 111.671 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.49 150.16 24.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.836 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.623 ' HG1' ' HE2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -46.27 130.19 10.45 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.588 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.595 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 7.4 p -118.37 33.36 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.518 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.33 49.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.164 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.619 ' HB2' ' HB2' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -153.41 134.53 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.767 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.57 -33.18 69.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -24.5 36.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.619 ' HB2' ' HB2' ' A' ' 73' ' ' SER . 0.7 OUTLIER -62.44 -56.99 12.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.494 HD12 HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -65.61 -31.56 72.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.331 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -35.16 80.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.374 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.29 -27.02 61.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.852 179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HB2' HD22 ' A' ' 92' ' ' LEU . . . -66.06 -44.08 85.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.662 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -64.12 -42.61 96.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.443 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -60.94 -27.98 68.61 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.579 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.669 179.753 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.887 0.375 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -72.35 82.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.442 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 37.7 mt -99.08 98.25 9.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.531 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 3.0 mt -95.01 147.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.528 ' O ' ' HA ' ' A' ' 59' ' ' MET . 14.7 m-70 -110.36 107.41 17.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 16.6 t -76.53 126.94 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.795 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.549 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.1 m-85 -117.58 127.63 26.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.593 ' HG3' ' HE ' ' A' ' 24' ' ' ARG . 57.1 Cg_endo -71.18 109.7 2.64 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.464 2.11 . . . . 0.0 112.27 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.981 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.574 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 6.7 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.438 HG21 ' N ' ' A' ' 18' ' ' ARG . 3.5 p -77.84 136.73 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.451 ' HG2' ' HG2' ' A' ' 91' ' ' GLU . 4.4 ttt180 -72.81 106.26 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.673 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 20' ' ' LYS . 82.6 t -116.06 144.83 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.051 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' N ' HG13 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -134.18 116.76 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.777 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.51 160.33 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.42 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 2.4 m-85 -140.42 77.0 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.47 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 16.5 t80 -83.41 102.94 12.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.823 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER 54.42 28.59 9.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.218 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.17 39.32 4.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.19 110.94 12.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.725 0.297 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -84.94 118.54 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 mtt -124.16 124.86 43.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.78 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mm -78.74 109.06 13.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.063 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 t -136.8 132.49 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 16' ' ' GLN . 3.7 m-70 -119.08 129.43 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -113.91 143.28 44.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.18 146.14 88.88 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.747 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.62 -14.72 10.73 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.572 2.181 . . . . 0.0 112.553 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.5 m -107.2 59.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 111.19 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 tt -131.14 147.61 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.78 176.47 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -74.5 -29.1 61.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -57.71 -58.04 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.42 -20.43 78.29 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.451 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.514 ' O ' HG21 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -64.44 -17.17 63.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.0 -47.62 28.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.469 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -67.81 -22.14 65.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.446 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -73.03 -55.18 6.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.685 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.514 HG21 ' O ' ' A' ' 41' ' ' LEU . 33.1 t -64.91 -21.79 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.426 HH21 ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -81.74 -27.9 33.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.742 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' HB2' HH21 ' A' ' 46' ' ' ARG . 21.8 t70 -74.07 -34.29 63.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.055 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.68 -28.13 26.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t -94.1 -15.22 24.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.063 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.8 t 58.38 93.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -124.16 -165.51 1.37 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.488 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -94.91 13.0 26.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.488 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 63.29 0.51 0.8 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.585 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 52' ' ' ASP . 2.0 mt-10 -138.88 0.35 1.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.349 . . . . 0.0 110.811 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.95 153.62 33.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.151 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.89 140.55 32.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.696 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.52 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 12.2 p90 -171.95 145.99 1.94 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -126.29 117.18 22.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.309 -179.771 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 10.3 mtm -89.85 163.75 14.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.491 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 89.6 mttt -143.58 102.97 4.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.77 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.702 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 19.7 p-90 -58.58 121.49 11.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.307 0.575 . . . . 0.0 111.282 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.602 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -68.2 147.65 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.164 -179.676 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.455 ' H ' ' H ' ' A' ' 67' ' ' ASP . 1.5 t0 -83.46 -164.02 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.626 ' HG3' ' HG2' ' A' ' 65' ' ' GLU . 16.2 pt-20 -77.12 -16.97 58.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.626 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 13.7 mm-40 -114.34 17.76 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.602 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 77.38 58.43 3.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.387 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.455 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -127.61 91.72 44.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.652 0.263 . . . . 0.0 111.073 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.507 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 27.8 Cg_exo -62.21 117.3 4.15 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.775 2.317 . . . . 0.0 111.833 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.56 144.22 48.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.772 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.429 ' HA ' ' HG2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -43.96 126.32 4.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.387 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.567 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 5.7 p -123.14 18.43 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.039 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.36 57.9 3.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.99 156.9 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.679 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -36.19 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -22.75 36.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.567 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -59.56 -58.02 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.715 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.69 -25.86 68.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.991 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.08 -33.66 73.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.105 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -22.94 54.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.808 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.2 -32.78 56.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.725 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -75.45 -37.69 60.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.477 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.2 mpp_? -66.91 -39.31 87.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.216 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.244 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.451 ' HG2' ' HG2' ' A' ' 18' ' ' ARG . 2.0 mp0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.79 0.329 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.24 82.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.504 ' C ' HG13 ' A' ' 94' ' ' ILE . 3.1 mp -91.96 143.56 26.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.39 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.702 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 3.2 mt -141.71 158.69 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.511 ' N ' HG22 ' A' ' 94' ' ' ILE . 0.3 OUTLIER -114.24 107.04 15.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.552 179.697 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 15.8 t -78.06 118.11 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.577 ' HB2' ' O ' ' A' ' 58' ' ' THR . 65.3 m-85 -113.3 123.53 33.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.68 117.82 4.88 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.59 2.193 . . . . 0.0 112.236 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.52 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.896 0.379 . . . . 0.0 111.222 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -122.27 131.8 72.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.782 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -76.59 85.8 3.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.213 179.516 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.655 HG11 ' HB3' ' A' ' 92' ' ' LEU . 10.0 t -109.2 150.19 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.635 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 19' ' ' VAL . 3.1 mtpt -140.47 125.3 18.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.534 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -85.1 167.91 15.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.004 0.431 . . . . 0.0 111.497 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 23.7 m-85 -141.64 75.95 1.52 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.245 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.597 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 23.2 t80 -83.54 100.93 11.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.057 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 52.86 36.71 22.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.213 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.84 51.28 3.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.96 108.18 4.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.309 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -81.29 116.06 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -113.59 136.71 52.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 mm -80.29 120.83 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t -148.4 124.55 10.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.371 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.522 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 1.9 m-70 -114.95 106.42 14.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 62.5 m-85 -88.49 -176.27 5.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -113.7 151.76 44.91 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.766 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.34 21.19 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.579 2.186 . . . . 0.0 112.586 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.1 11.07 2.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.8 tt -98.53 140.59 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.33 161.45 22.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 58.1 t80 -70.28 -24.96 63.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.763 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -57.2 -48.29 79.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.658 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.33 -17.33 80.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.113 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -14.22 62.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 110.871 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 t -77.92 -40.9 38.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.461 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.408 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 3.3 m120 -74.35 -26.12 59.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.191 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.54 -31.37 57.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.609 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.506 HG12 ' HE2' ' A' ' 48' ' ' MET . 24.1 t -76.65 -42.45 34.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.97 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' CG ' ' HA ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -69.21 -26.13 64.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.946 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.2 -38.3 56.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.506 ' HE2' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -82.41 -20.13 37.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 t -102.14 -6.05 23.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.93 92.25 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -128.42 -170.32 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.727 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' HD21 ' A' ' 53' ' ' ASN . 3.6 m-20 -89.87 16.12 8.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.795 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.427 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 55.36 22.08 4.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.194 179.489 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -159.67 0.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 150.43 49.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tp -97.69 138.58 34.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.72 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -168.51 138.29 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.562 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -112.62 115.18 28.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.292 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -100.06 148.41 24.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.031 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HB3' ' C ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -132.7 115.39 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.34 179.751 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.784 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 19.1 p-90 -62.68 120.21 10.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.325 0.583 . . . . 0.0 111.678 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.548 HG13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -68.58 144.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.954 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.662 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -75.77 -156.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.012 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -81.4 -20.25 40.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.025 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -109.11 -2.79 17.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.489 ' C ' HG12 ' A' ' 62' ' ' ILE . . . 102.04 56.21 0.85 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.724 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.662 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 14.3 m-20 -121.41 93.76 48.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.587 0.232 . . . . 0.0 110.845 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.548 ' HG3' HG13 ' A' ' 62' ' ' ILE . 32.6 Cg_exo -61.85 110.09 0.91 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.647 2.231 . . . . 0.0 111.809 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.507 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 67.4 m -106.2 123.05 47.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.443 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 4.2 m -48.58 106.4 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.421 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.603 HG11 ' H ' ' A' ' 61' ' ' TRP . 2.0 p -108.47 105.71 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.798 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.404 ' HA ' ' CE2' ' A' ' 38' ' ' PHE . 65.5 m -139.72 32.44 2.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.012 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 m -137.85 150.86 47.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -33.77 76.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.782 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -25.97 56.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.7 -51.9 66.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -32.98 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.365 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.7 -36.87 79.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.074 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -72.74 -30.12 63.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.758 179.132 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -66.05 -39.91 90.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.403 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -69.69 -32.23 70.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.271 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -71.65 -27.46 63.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.599 179.71 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.705 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.787 0.327 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.655 ' HB3' HG11 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -72.1 128.27 35.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.52 ' C ' HG13 ' A' ' 94' ' ' ILE . 73.5 mt -129.25 141.62 51.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.368 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.784 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 4.2 mt -142.06 157.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.025 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.467 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -116.48 107.47 14.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.568 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 27.6 t -78.95 117.19 24.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.011 0.434 . . . . 0.0 110.749 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.562 ' HB2' ' O ' ' A' ' 58' ' ' THR . 55.1 m-85 -112.38 126.5 28.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.15 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.68 148.59 47.29 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.598 2.199 . . . . 0.0 112.303 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.983 179.895 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.7 135.29 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.286 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 18' ' ' ARG . 17.4 mtm180 -80.61 111.17 16.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.5 t -109.35 134.71 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HD3' HD11 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -119.03 116.14 25.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.638 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.53 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.59 159.63 25.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.469 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.7 OUTLIER -137.71 74.43 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -83.72 118.02 23.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.324 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 51.04 25.05 2.1 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.75 42.69 5.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.663 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 7.4 m-20 -135.23 122.11 21.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.734 0.302 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.53 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -80.39 137.7 21.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.416 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -133.42 140.26 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.4 mm -89.39 101.45 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.255 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t -136.33 118.92 15.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.976 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.59 151.07 28.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -128.72 160.45 32.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.976 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.646 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 2.8 pm0 -72.28 156.6 90.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.65 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.42 -2.0 8.35 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.409 2.073 . . . . 0.0 112.556 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.2 m -135.47 68.41 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.646 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 3.0 tt -134.34 149.66 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.9 164.55 11.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.801 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -68.73 -15.47 63.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -48.67 70.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.71 -15.35 75.69 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.23 -9.8 58.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.6 t -74.58 -49.09 23.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.669 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -74.31 -26.7 60.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.67 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -66.66 -51.53 55.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.624 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.435 HG12 ' HE3' ' A' ' 48' ' ' MET . 94.2 t -66.33 -34.31 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.577 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -73.4 -21.65 60.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.952 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -78.86 -35.07 44.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.279 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.435 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.04 -20.61 21.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.495 -179.5 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 t -104.6 -17.29 14.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.367 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.1 m 59.42 98.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.577 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 14.5 m-85 -120.76 -169.7 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.451 ' C ' HD21 ' A' ' 53' ' ' ASN . 3.2 m-20 -87.05 11.45 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.451 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 56.3 18.41 3.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.355 179.217 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.43 0.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.121 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.73 179.8 1.31 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.137 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.416 HD12 ' H ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -112.81 140.69 47.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.77 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.584 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 6.9 p90 -169.14 162.32 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.736 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -147.39 119.76 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 111.715 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.496 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 4.3 mtm -100.05 147.14 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.455 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.524 ' C ' HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -127.14 111.01 13.5 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.921 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.723 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 42.9 p-90 -59.39 121.3 11.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.262 0.553 . . . . 0.0 111.556 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.606 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -67.84 151.38 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.208 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.49 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -88.67 -159.28 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.037 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -75.74 -31.01 59.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.189 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.52 19.09 20.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.224 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.606 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 78.89 60.52 2.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.515 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.49 ' H ' ' H ' ' A' ' 63' ' ' ASP . 1.8 t0 -128.19 92.71 40.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.661 0.267 . . . . 0.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 62' ' ' ILE . 27.6 Cg_exo -62.64 127.73 21.5 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.847 2.364 . . . . 0.0 111.949 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.481 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 9.8 t -120.9 126.98 51.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.882 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.2 m -48.1 117.83 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.605 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.575 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 1.4 p -123.68 110.72 26.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.784 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -146.37 28.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 m -135.55 153.64 51.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 1.7 tt0 -63.05 -30.17 71.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.86 -26.94 33.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.575 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.4 OUTLIER -59.51 -61.84 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.532 HD22 ' HE2' ' A' ' 81' ' ' PHE . 0.9 OUTLIER -62.77 -27.48 69.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 109.924 179.336 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 0.6 OUTLIER -65.14 -34.56 78.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.985 179.226 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -74.35 -27.4 60.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.757 179.248 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -72.56 -33.06 66.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.659 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.532 ' HE2' HD22 ' A' ' 77' ' ' LEU . 7.5 m-85 -76.0 -37.32 58.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.702 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.428 ' HD3' ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -66.09 -37.35 85.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.476 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.469 179.601 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.891 0.377 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.13 108.35 8.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.716 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.563 HD11 ' HD3' ' A' ' 20' ' ' LYS . 2.0 mp -109.23 145.42 35.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.729 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.723 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 6.6 mt -143.41 155.42 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.773 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.496 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -112.09 107.23 16.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.7 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.8 t -76.64 125.25 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.326 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 58' ' ' THR . 54.8 m-85 -124.3 92.35 48.26 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.347 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.584 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 83.0 Cg_endo -77.28 126.79 8.71 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.502 2.134 . . . . 0.0 112.381 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.825 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.756 0.312 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.497 HG21 ' N ' ' A' ' 18' ' ' ARG . 8.8 p -77.53 144.38 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.497 ' N ' HG21 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -75.78 117.18 17.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.848 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 92' ' ' LEU . 47.7 t -128.19 138.93 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HB2' HD21 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -133.87 113.78 12.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.42 156.47 26.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.007 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.5 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 7.5 m-85 -131.51 82.57 2.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.784 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 30.2 t80 -83.58 99.4 10.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 56.91 26.53 11.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.987 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.38 38.51 3.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.57 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -127.83 109.31 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.703 0.287 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -79.81 110.85 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.525 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 3.2 tpp -111.08 125.75 54.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.661 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 mm -77.81 117.58 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.335 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 3.4 t -149.21 126.57 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.869 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -114.22 127.04 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.019 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -116.44 163.46 16.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -86.25 156.79 56.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.522 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -77.24 57.03 5.71 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.509 2.139 . . . . 0.0 112.579 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.29 27.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.824 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.506 HG13 ' N ' ' A' ' 37' ' ' SER . 1.1 tp -108.68 147.01 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.506 ' N ' HG13 ' A' ' 36' ' ' ILE . 1.7 p -102.26 -179.53 4.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -75.88 -30.22 58.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.22 -64.06 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.69 -22.42 69.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.398 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.548 HD12 HD11 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -69.75 -12.34 61.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.8 -42.01 28.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.537 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.414 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 67.3 m-80 -74.88 -24.7 58.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.532 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -75.31 -39.43 59.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.651 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.69 HG11 ' HE3' ' A' ' 48' ' ' MET . 55.8 t -71.51 -37.59 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.464 ' HA ' ' HD2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -74.5 -23.33 58.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 110.821 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.15 -29.72 43.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.69 ' HE3' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.21 -19.22 23.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.041 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.9 t -105.93 -7.19 18.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.7 t 58.79 92.29 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.464 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 9.3 m-85 -122.35 -170.05 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.681 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' C ' HD21 ' A' ' 53' ' ' ASN . 8.2 m-20 -90.63 12.49 18.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.466 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 60.21 8.53 1.57 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.406 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -143.03 -10.14 0.77 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.716 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.84 149.86 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.28 136.27 40.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.811 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.468 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 11.3 p90 -169.73 146.48 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.835 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.8 m -127.61 122.08 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.539 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 1.8 mtm -99.42 153.97 18.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.724 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.541 ' C ' HG21 ' A' ' 94' ' ' ILE . 0.7 OUTLIER -134.14 118.64 17.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.68 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.749 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 20.9 p-90 -66.69 123.05 19.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.165 0.507 . . . . 0.0 111.218 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.541 HG12 ' N ' ' A' ' 67' ' ' ASP . 0.6 OUTLIER -72.34 151.54 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.319 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.589 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -86.49 -168.73 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.764 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -77.28 -8.49 57.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -116.1 2.52 13.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.069 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.423 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 91.47 57.17 1.57 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.589 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -125.99 93.01 44.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.596 0.236 . . . . 0.0 111.069 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.466 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 20.6 Cg_exo -65.27 93.3 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.69 2.26 . . . . 0.0 111.826 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.468 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 7.8 m -92.71 129.7 38.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.687 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.467 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -47.05 126.49 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.535 -179.535 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.42 ' C ' ' H ' ' A' ' 73' ' ' SER . 9.8 p -118.19 29.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.326 0.584 . . . . 0.0 110.845 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -78.8 30.38 0.2 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.247 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 71' ' ' VAL . 16.4 m -134.99 145.77 48.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.724 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -65.13 -30.88 71.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.421 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 0.3 OUTLIER -82.04 -21.06 37.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.979 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -65.56 -55.62 16.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.605 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.548 HD11 HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -64.72 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.073 179.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.89 -35.68 81.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.311 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.526 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.94 -31.18 68.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.697 179.152 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.617 ' HB3' HD13 ' A' ' 92' ' ' LEU . . . -60.95 -40.32 92.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.344 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -71.17 -34.59 71.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -31.28 72.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.347 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.705 179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.815 0.34 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -74.89 95.42 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' A' ' 20' ' ' LYS . 31.1 mt -96.66 145.4 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.586 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.749 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 10.4 mt -143.02 161.95 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.738 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.5 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 5.0 m-70 -125.67 107.58 10.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.69 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 46.7 t -76.45 123.23 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.375 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.9 m-85 -119.12 123.95 28.54 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.34 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.35 121.14 7.23 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.614 2.209 . . . . 0.0 112.233 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.468 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.906 0.384 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.79 129.11 36.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 35.4 ttp180 -72.07 108.26 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.801 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 92' ' ' LEU . 94.5 t -120.45 135.26 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HD3' HD11 ' A' ' 93' ' ' LEU . 7.6 mttt -118.82 120.41 37.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.527 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.52 155.9 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 1.1 m-85 -141.09 68.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . 28.7 t80 -83.66 110.18 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 54.81 22.01 3.93 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.91 29.19 7.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.361 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -114.24 112.32 22.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.633 0.254 . . . . 0.0 110.807 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.527 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -87.3 109.42 19.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.7 mtt -115.66 146.1 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.771 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mm -88.97 119.21 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.4 t -147.93 129.03 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.4 ' CE1' ' HA ' ' A' ' 18' ' ' ARG . 2.9 m-70 -115.41 151.05 35.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -134.2 -175.72 3.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -113.46 154.28 45.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.2 15.73 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.598 2.199 . . . . 0.0 112.589 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.75 -18.48 9.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.0 tt -73.81 158.76 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.3 p -115.74 176.29 5.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -68.35 -25.12 64.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.59 -48.63 80.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.61 -16.14 79.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.352 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -15.76 61.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 110.815 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.5 t -74.77 -50.37 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.651 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -67.76 -21.93 65.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.585 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.89 -52.96 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.745 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.562 HG13 ' HE3' ' A' ' 48' ' ' MET . 90.5 t -64.06 -30.03 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.825 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.426 ' NH2' ' HB2' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -75.31 -30.2 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.16 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 17.7 t70 -72.41 -31.54 65.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.133 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.562 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -89.86 -35.56 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.28 -179.718 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -84.68 -13.49 51.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.065 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.89 89.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.013 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -122.22 -172.47 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.5 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' HD21 ' A' ' 53' ' ' ASN . 12.4 m-20 -92.87 19.28 7.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.627 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.519 HD21 ' N ' ' A' ' 53' ' ' ASN . 0.9 OUTLIER 60.97 10.7 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.342 179.402 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -141.71 -8.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.957 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.86 147.53 14.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.239 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.2 mm? -98.49 137.81 36.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.825 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -172.18 138.42 0.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.986 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 4.1 m -117.91 118.86 33.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.258 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.424 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -99.5 147.64 25.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -127.08 113.66 16.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.309 179.841 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.664 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 24.8 p-90 -56.29 120.5 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.473 0.654 . . . . 0.0 111.729 -179.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.504 HG12 ' HG3' ' A' ' 68' ' ' PRO . 6.0 mt -70.84 134.85 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.005 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.433 ' N ' HG23 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -73.55 176.47 6.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.718 179.805 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -21.73 66.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -100.05 -9.21 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 102.41 57.87 0.79 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.35 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.02 88.06 46.69 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.613 0.244 . . . . 0.0 111.361 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HG3' HG12 ' A' ' 62' ' ' ILE . 32.7 Cg_exo -59.31 98.46 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.531 2.154 . . . . 0.0 112.011 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.445 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 3.0 t -98.2 135.33 40.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -46.81 110.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.447 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.467 ' HB ' ' HD1' ' A' ' 61' ' ' TRP . 9.1 p -103.57 32.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.1 38.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.036 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.41 167.9 21.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -83.76 -33.37 25.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.39 -22.55 41.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.14 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -64.95 -52.89 53.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.912 0.387 . . . . 0.0 110.713 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.13 -25.86 65.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.11 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.95 -36.56 69.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.262 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.97 -28.13 65.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.887 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.473 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -70.6 -37.98 73.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.463 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -66.96 -42.29 85.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -33.81 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.404 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.897 0.379 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.55 95.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.455 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . 1.4 mp -105.8 148.97 26.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.664 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 13.5 mt -145.19 149.91 16.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -109.1 107.38 17.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.564 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 33.8 t -78.9 122.17 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.648 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' A' ' 58' ' ' THR . 54.4 m-85 -117.95 119.85 33.24 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.405 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.95 149.17 65.29 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.437 2.091 . . . . 0.0 112.153 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 32' ' ' PHE . 60.8 tp60 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.647 0.261 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 17' ' ' VAL . 5.3 p -115.15 124.67 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 2.0 mtt180 -72.84 108.27 5.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.774 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 6.3 t -116.18 136.01 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HB2' ' CD2' ' A' ' 93' ' ' LEU . 19.1 mtpt -127.92 117.55 21.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.531 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -86.81 161.86 18.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.169 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -129.24 83.12 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.57 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 55.3 t80 -83.79 98.98 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.771 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 57.84 27.18 14.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.032 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.74 44.59 3.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.693 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -136.76 113.95 10.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.6 107.01 13.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 mtm -107.83 128.66 54.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 mm -79.84 115.41 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 t -147.15 121.9 9.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -109.22 142.49 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 39.3 m-85 -122.05 134.0 54.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -58.8 163.88 4.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.886 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -77.35 -0.1 10.28 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.395 2.063 . . . . 0.0 112.374 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.21 47.58 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 37' ' ' SER . 0.7 OUTLIER -124.49 144.5 34.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -101.78 159.14 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.726 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.611 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 53.9 t80 -63.44 -22.89 67.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.775 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -51.86 68.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.781 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.53 -14.04 79.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.291 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.406 HD21 HD23 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -66.71 -10.54 47.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.086 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 t -76.04 -46.66 28.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.538 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -74.11 -26.12 60.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.521 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.58 -56.52 8.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.553 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.504 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 53.2 t -61.61 -36.32 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.546 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.457 HH21 ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -63.96 -28.42 69.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.638 179.587 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.457 ' HB2' HH21 ' A' ' 46' ' ' ARG . 23.4 t0 -73.55 -38.27 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.137 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.5 -11.43 48.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.222 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -106.61 -15.05 14.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.039 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 t 56.13 85.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -116.07 -172.92 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.655 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.424 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -89.49 17.51 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.874 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.468 HD21 ' N ' ' A' ' 53' ' ' ASN . 0.9 OUTLIER 54.91 24.43 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.172 179.284 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -163.33 0.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.69 168.71 10.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.97 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.422 ' HB3' ' O ' ' A' ' 99' ' ' CYS . 0.2 OUTLIER -115.93 140.07 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.681 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.469 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.3 p90 -169.36 137.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.558 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 2.1 m -112.7 117.44 32.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.366 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.57 166.26 13.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.551 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.492 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 61.7 mttt -146.55 103.89 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.827 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.746 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 12.8 p-90 -62.87 126.77 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 0.0 111.209 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.749 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -67.65 146.84 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.149 -179.457 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -79.24 -162.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.973 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -81.49 -14.77 56.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.043 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.7 0.07 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.749 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 98.63 57.67 0.98 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.525 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.461 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -130.51 90.58 40.5 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.72 0.295 . . . . 0.0 111.13 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.492 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 36.2 Cg_exo -60.74 112.11 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.683 2.255 . . . . 0.0 111.819 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 1.7 t -112.21 145.4 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.936 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.472 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -43.67 118.38 1.38 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.498 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.741 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.7 p -115.99 27.67 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.941 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.75 49.09 1.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -155.04 146.07 22.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.741 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.611 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -66.27 -28.06 68.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.18 -24.67 34.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.288 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.741 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -62.1 -55.3 30.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.013 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.406 HD23 HD21 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -65.71 -29.3 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.054 0.454 . . . . 0.0 110.108 179.626 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.6 -35.31 79.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.344 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -72.55 -27.76 62.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.792 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.02 -26.98 61.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.735 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.14 -43.23 34.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 82' ' ' ARG . 1.6 ttp180 -65.3 -38.23 89.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.718 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.71 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 3.2 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.745 0.307 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.31 131.28 42.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.511 179.698 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.451 ' C ' HG13 ' A' ' 94' ' ' ILE . 43.8 mt -126.7 145.94 50.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.997 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.746 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 14.2 mt -145.59 160.89 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -122.58 107.23 11.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.608 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.564 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 57.5 t -78.01 126.43 38.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.558 ' HB2' ' O ' ' A' ' 58' ' ' THR . 57.5 m-85 -121.18 122.2 28.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.78 113.62 3.71 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.557 2.171 . . . . 0.0 112.377 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.469 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 14.2 t . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.768 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.804 0.335 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 17' ' ' VAL . 8.4 p -72.1 133.09 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -74.52 112.96 11.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.518 HG11 ' N ' ' A' ' 20' ' ' LYS . 57.8 t -121.76 143.93 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.194 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.856 ' HD2' HG13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -128.22 118.73 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.641 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.73 157.52 25.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -141.93 81.82 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.479 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.654 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 1.5 t80 -83.13 79.61 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.601 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 24' ' ' ARG . 3.4 ttt180 58.73 25.33 13.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.784 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.86 16.99 4.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.556 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.535 ' HB2' ' HB3' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -107.72 97.25 7.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.541 HG21 ' HZ3' ' A' ' 20' ' ' LYS . 1.2 mt -84.1 92.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 mtt -104.02 122.82 46.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.013 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.856 HG13 ' HD2' ' A' ' 20' ' ' LYS . 2.8 mp -78.76 122.01 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -146.94 135.95 22.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.672 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -116.58 130.27 56.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.349 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -122.19 179.05 4.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.74 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.13 147.03 93.29 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.753 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.37 -7.32 18.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.463 2.109 . . . . 0.0 112.283 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m -117.64 31.81 6.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 37' ' ' SER . 0.6 OUTLIER -77.62 150.0 5.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.154 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.447 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -116.74 164.17 15.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.05 -22.83 67.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.6 -37.45 70.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.39 -25.09 44.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.885 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.467 HD12 HD11 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -68.23 -12.1 60.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.319 . . . . 0.0 111.076 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.7 -42.03 43.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.579 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -79.88 -27.03 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.537 179.712 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.47 -45.14 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.491 ' O ' ' HG3' ' A' ' 48' ' ' MET . 48.3 t -66.18 -41.42 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.966 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.599 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -70.32 -21.37 62.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.778 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -80.09 -31.63 39.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.491 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -92.21 -12.1 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.213 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.9 t -116.16 -7.0 11.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.242 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.47 90.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.599 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 5.3 m-85 -114.76 -168.46 1.38 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.455 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.2 OUTLIER -104.89 10.56 34.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.789 179.827 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.476 HD21 ' N ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER 55.94 27.29 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.874 179.338 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -163.0 0.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.436 HE21 ' HB3' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -73.76 167.16 21.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.036 -179.528 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -104.27 143.83 32.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 13.2 p90 -176.03 149.99 0.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.597 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 2.2 m -132.86 116.1 16.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.432 . . . . 0.0 111.467 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.451 ' SD ' HG13 ' A' ' 96' ' ' VAL . 20.1 mtm -101.88 149.73 23.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.711 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.542 ' HB3' ' N ' ' A' ' 70' ' ' THR . 0.0 OUTLIER -135.03 114.16 12.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.679 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 31.7 p-90 -61.5 124.23 20.06 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.401 0.62 . . . . 0.0 111.746 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.571 HG23 ' HA2' ' A' ' 66' ' ' GLY . 1.9 mp -68.15 136.62 26.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.267 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.555 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -75.97 -155.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.676 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -30.33 24.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.249 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.42 15.65 25.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.238 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.571 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 79.16 61.66 2.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.136 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.555 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 11.6 m-20 -130.54 88.21 47.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.57 0.224 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.529 ' HB3' ' HB2' ' A' ' 95' ' ' HIS . 35.1 Cg_exo -57.97 98.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.611 2.207 . . . . 0.0 111.738 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.514 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 17.5 m -100.11 130.14 46.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.542 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -44.91 118.64 1.7 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.613 -179.45 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.785 HG21 HD12 ' A' ' 77' ' ' LEU . 9.4 p -97.18 32.79 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.221 0.534 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.04 49.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.816 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.84 142.06 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.665 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -65.68 -30.68 71.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.063 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.14 -20.0 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.02 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -64.84 -55.13 21.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.785 HD12 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -65.04 -31.43 72.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.407 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -36.23 82.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.33 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 1.7 pt-20 -71.06 -27.62 63.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.121 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.39 80.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.69 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -63.77 -37.06 85.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.671 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 82' ' ' ARG . 11.1 ttt-85 -66.64 -27.33 67.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.804 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 121.002 0.43 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.17 93.88 4.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.746 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.479 ' C ' HG13 ' A' ' 94' ' ' ILE . 1.4 mp -100.58 151.86 21.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.679 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 8.7 mt -146.2 151.76 14.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.761 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -111.1 107.2 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.578 179.645 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.654 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 13.1 t -82.71 121.96 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.597 ' HB2' ' O ' ' A' ' 58' ' ' THR . 76.4 m-85 -117.04 136.18 23.25 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.108 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.437 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 87.6 Cg_endo -80.55 156.68 21.76 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.569 2.18 . . . . 0.0 112.084 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 3.6 m . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.6 ' HG3' ' HA ' ' A' ' 33' ' ' GLU . 87.9 mm-40 . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.687 0.279 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 17' ' ' VAL . 6.2 p -111.45 123.86 67.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.849 0.357 . . . . 0.0 110.843 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -73.16 123.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.777 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.472 HG11 ' N ' ' A' ' 20' ' ' LYS . 66.2 t -128.24 142.45 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.472 ' N ' HG11 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -129.07 115.48 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.773 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.6 156.19 26.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.478 ' HH ' HG12 ' A' ' 27' ' ' ILE . 2.3 m-85 -130.52 78.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.75 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 31.5 t80 -83.42 102.38 12.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.46 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.536 ' HD3' ' HG3' ' A' ' 98' ' ' PRO . 48.2 mtm180 60.42 25.81 15.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.974 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.59 35.16 6.29 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.593 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.53 114.02 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.478 HG12 ' HH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -80.83 128.17 38.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.083 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 mtm -130.46 130.02 43.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.407 HD12 HG21 ' A' ' 29' ' ' ILE . 39.2 mm -77.75 109.85 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 t -140.25 126.65 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -114.36 151.91 32.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.961 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -130.42 -125.2 0.21 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.991 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.6 ' HA ' ' HG3' ' A' ' 16' ' ' GLN . 1.1 pt-20 -146.92 160.12 41.32 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.796 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 33' ' ' GLU . 72.6 Cg_endo -77.36 31.64 0.43 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.566 2.177 . . . . 0.0 112.617 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.2 33.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.833 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.524 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 2.8 tp -98.67 144.0 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 36' ' ' ILE . 96.7 p -104.82 176.48 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.796 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -71.38 -26.35 62.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.824 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -46.4 90.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.0 -24.07 58.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.654 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.694 HD11 HD13 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -73.61 -10.37 59.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.943 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -40.93 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -78.41 -25.54 46.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.632 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.05 -39.56 60.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.781 HG11 ' HE1' ' A' ' 48' ' ' MET . 42.5 t -70.6 -37.97 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -20.54 57.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.06 -29.83 34.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.781 ' HE1' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.14 -31.71 16.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.993 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t -84.84 -5.84 59.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.7 t 57.16 90.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -121.16 -171.01 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -89.71 14.26 12.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.445 HD21 ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 54.41 27.37 8.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.156 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -165.58 4.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.09 170.4 16.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.232 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.49 138.4 50.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -167.77 150.77 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.536 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -129.0 119.18 23.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.538 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.475 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 12.2 mtm -91.6 168.3 11.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.916 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.496 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -147.6 102.99 3.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.777 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 17.4 p-90 -56.04 120.17 7.04 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.387 0.613 . . . . 0.0 111.632 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.495 ' CG2' ' HA2' ' A' ' 66' ' ' GLY . 5.1 mt -70.1 141.14 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.457 ' N ' HG21 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -81.61 -164.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.82 -20.61 45.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -110.84 17.89 20.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.037 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.495 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 78.85 60.21 2.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.315 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -131.17 86.09 52.2 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.618 0.247 . . . . 0.0 111.58 -179.678 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.496 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.3 Cg_exo -63.74 117.76 4.73 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.615 2.21 . . . . 0.0 111.56 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 71.2 m -118.12 143.72 46.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.021 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.463 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 6.5 p -49.09 107.55 0.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.601 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.564 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.9 p -98.5 25.55 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.716 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.6 m -80.82 59.36 3.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.34 144.25 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.796 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -29.22 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -28.94 37.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.564 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -61.26 -51.48 68.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.698 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.694 HD13 HD11 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -67.82 -27.61 66.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.151 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.17 -35.04 79.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.166 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -73.97 -30.01 62.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.761 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.01 95.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.694 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -70.11 -36.17 74.65 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.505 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -27.93 69.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.274 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.432 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.81 0.338 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.3 120.66 21.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.6 mt -112.03 146.57 37.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.777 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 15.6 mt -146.93 158.57 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.639 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.475 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -118.66 106.7 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.713 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 42.9 t -78.72 121.9 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.914 0.387 . . . . 0.0 110.961 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' O ' ' A' ' 58' ' ' THR . 55.6 m-85 -117.87 130.65 24.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.536 ' HG3' ' HD3' ' A' ' 24' ' ' ARG . 79.5 Cg_endo -78.43 130.92 10.25 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.568 2.179 . . . . 0.0 112.243 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.047 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.44 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.787 0.327 . . . . 0.0 110.718 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -103.53 131.7 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.063 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 4.1 mtm180 -76.98 77.34 3.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.0 0.429 . . . . 0.0 109.938 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 85.7 t -92.98 135.92 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.541 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 93' ' ' LEU . 14.7 mttm -127.7 113.88 16.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.48 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.506 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -82.49 158.28 23.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.307 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -129.98 73.78 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.49 179.79 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.505 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . 25.8 t80 -83.8 115.73 22.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.846 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 55.93 24.65 7.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.86 46.2 5.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.354 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 3.6 t0 -140.47 122.78 15.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.749 0.309 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.506 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -83.43 121.54 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.093 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.493 ' HE2' ' HG ' ' A' ' 49' ' ' CYS . 2.0 mpp? -117.72 128.18 54.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.0 mm -78.28 118.66 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.95 119.27 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.464 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 3.4 m-70 -120.71 130.04 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.483 ' O ' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -135.18 161.43 35.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.7 149.66 40.63 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.96 -23.94 33.92 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.555 2.17 . . . . 0.0 112.391 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.9 57.86 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 tt -133.44 146.51 31.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.76 168.1 10.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -62.39 -30.26 71.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -43.82 78.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.711 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.17 -24.34 76.58 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.426 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.615 HD13 HD21 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -69.28 -10.42 57.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.951 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -45.16 25.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.577 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -74.77 -25.2 58.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.647 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.02 -57.22 4.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.782 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 41' ' ' LEU . 95.0 t -59.69 -30.46 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.61 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -79.49 -26.81 41.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.17 -29.62 61.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.98 -36.7 14.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.493 ' HG ' ' HE2' ' A' ' 28' ' ' MET . 0.5 OUTLIER -84.9 -15.9 42.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.01 -179.856 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.38 94.59 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.61 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 44.1 m-85 -115.72 -172.84 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.519 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -88.71 17.77 5.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.654 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.468 HD21 ' N ' ' A' ' 53' ' ' ASN . 0.9 OUTLIER 56.97 22.81 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.909 179.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -160.71 -0.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 146.96 50.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.669 HD21 ' HG ' ' A' ' 99' ' ' CYS . 0.4 OUTLIER -99.78 140.74 33.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.009 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -169.31 134.07 1.46 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.678 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.9 m -111.17 119.05 37.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.464 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.509 ' HG2' ' HA ' ' A' ' 96' ' ' VAL . 17.9 mtm -96.84 160.69 14.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.817 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.49 ' HB3' ' N ' ' A' ' 70' ' ' THR . 0.0 OUTLIER -139.0 111.38 7.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.676 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.664 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 15.5 p-90 -60.01 121.64 12.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.321 0.581 . . . . 0.0 111.775 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.456 ' CG2' ' HA2' ' A' ' 66' ' ' GLY . 5.4 mt -69.86 135.1 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.85 -167.86 1.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -78.13 -19.19 54.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.079 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -107.49 15.4 24.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.456 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 76.94 60.48 2.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.032 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.59 87.63 49.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 N-CA-C 111.536 0.198 . . . . 0.0 111.536 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.474 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 37.3 Cg_exo -60.82 95.3 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.414 2.076 . . . . 0.0 111.817 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.434 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 40.1 t -88.96 124.97 34.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.965 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.49 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -47.79 113.74 0.77 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.549 -179.673 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.458 HG11 ' H ' ' A' ' 61' ' ' TRP . 2.6 p -111.7 122.0 65.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.65 42.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.93 152.3 32.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -63.26 -29.57 70.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.69 -31.55 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.799 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -56.24 24.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.615 HD21 HD13 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -65.68 -31.93 73.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.866 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 1.2 tp10 -61.06 -37.19 81.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.027 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -72.16 -28.31 63.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.729 179.302 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.563 ' HB3' HD23 ' A' ' 92' ' ' LEU . . . -69.32 -27.99 65.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.396 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -80.68 -41.62 23.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.408 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 82' ' ' ARG . 3.5 ttm180 -61.97 -41.43 98.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.624 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.509 179.75 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.806 0.336 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.563 HD23 ' HB3' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -90.61 105.17 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.477 ' C ' HG13 ' A' ' 94' ' ' ILE . 82.3 mt -95.12 146.56 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.785 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.664 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 9.8 mt -146.68 157.35 10.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.449 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -118.92 106.91 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.422 179.633 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.509 ' HA ' ' HG2' ' A' ' 59' ' ' MET . 43.4 t -78.4 126.06 38.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.874 0.369 . . . . 0.0 111.151 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 58' ' ' THR . 56.9 m-85 -122.01 119.63 28.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.231 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.19 154.31 66.14 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.43 2.087 . . . . 0.0 112.041 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.669 ' HG ' HD21 ' A' ' 56' ' ' LEU . 10.9 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.772 0.32 . . . . 0.0 111.134 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.01 132.2 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HE ' ' HB2' ' A' ' 18' ' ' ARG . 6.9 ttm180 -77.39 110.23 11.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.756 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 46.0 t -121.36 133.06 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.481 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HB2' HD21 ' A' ' 93' ' ' LEU . 0.5 OUTLIER -128.28 112.65 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 179.68 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -82.07 159.88 23.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.388 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.537 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 14.0 m-85 -130.65 81.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.657 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.597 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 14.1 t80 -83.81 100.41 10.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.756 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HD2' ' HG3' ' A' ' 98' ' ' PRO . 0.3 OUTLIER 55.21 31.49 16.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.077 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.16 50.54 2.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.606 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -145.64 109.53 4.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.686 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -77.58 115.42 19.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.321 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.0 mtt -109.6 123.45 49.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -78.57 112.55 16.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.279 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.442 ' O ' HG21 ' A' ' 30' ' ' THR . 7.5 t -149.23 128.69 13.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -113.93 154.71 27.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.044 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 37.2 m-85 -138.98 -172.05 3.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.764 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.465 ' O ' HG22 ' A' ' 36' ' ' ILE . 1.3 pm0 -106.09 149.83 38.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.679 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.71 -4.97 6.48 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.622 2.214 . . . . 0.0 112.52 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.86 56.38 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 37' ' ' SER . 3.2 tp -123.24 143.98 34.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.465 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -94.53 161.05 14.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.741 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -70.82 -30.45 66.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.53 -42.12 87.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.005 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.4 -15.16 81.75 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -68.78 -9.7 52.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.319 . . . . 0.0 111.001 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.04 -47.55 20.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.61 -25.57 59.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.726 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.61 -53.95 16.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.654 HG11 ' HE1' ' A' ' 48' ' ' MET . 85.4 t -64.33 -34.33 68.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.631 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -72.41 -24.45 61.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.775 179.788 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -78.64 -34.31 46.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.654 ' HE1' HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.7 -24.68 26.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 75.9 m -97.92 -15.91 19.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m 59.78 100.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.441 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 28.6 m-85 -129.9 -165.19 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' HD21 ' A' ' 53' ' ' ASN . 8.2 t70 -101.26 14.37 32.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.808 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.447 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.2 m-80 61.79 8.87 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.44 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -138.23 -1.74 1.9 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.521 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 146.8 52.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.898 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.44 143.47 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.684 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -171.85 150.44 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.971 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.564 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -129.13 115.96 18.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.493 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -89.05 160.37 17.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.673 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.507 ' C ' HG22 ' A' ' 94' ' ' ILE . 13.5 mttt -138.9 102.91 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.786 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.672 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 9.2 p-90 -63.37 126.85 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.252 0.549 . . . . 0.0 111.512 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.632 HG13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -68.11 140.54 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.737 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.501 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.9 OUTLIER -75.44 -149.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.002 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.09 -35.85 36.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.01 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.22 13.82 33.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.118 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.57 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 86.64 61.22 1.63 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.699 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.501 ' H ' ' H ' ' A' ' 63' ' ' ASP . 2.7 m-20 -124.07 89.69 51.49 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.7 0.286 . . . . 0.0 110.893 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.632 ' HG3' HG13 ' A' ' 62' ' ' ILE . 36.5 Cg_exo -57.97 115.37 2.48 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.705 2.27 . . . . 0.0 111.814 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.3 t -117.75 139.15 51.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.461 ' OG1' ' HE2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -56.74 109.22 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.373 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.3 p -105.73 104.84 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 p -132.06 38.43 3.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -146.38 144.25 29.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -63.4 -28.05 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.421 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 2.9 tt -82.26 -28.81 31.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.8 -48.22 82.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 41' ' ' LEU . 1.8 tp -69.18 -32.62 72.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.225 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -38.8 92.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.296 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.02 -28.05 64.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.058 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.469 ' HB2' HD23 ' A' ' 92' ' ' LEU . . . -64.72 -36.97 86.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.539 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -69.82 -43.11 72.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.626 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -63.11 -35.54 80.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.813 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.85 0.357 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.502 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -76.94 113.3 14.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.46 ' C ' HG13 ' A' ' 94' ' ' ILE . 65.4 mt -108.87 145.64 35.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.973 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.672 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 12.4 mt -146.95 158.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.477 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.537 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 4.0 m-70 -118.69 106.9 13.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.74 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 67.8 t -77.06 124.34 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.985 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.564 ' HB2' ' O ' ' A' ' 58' ' ' THR . 64.7 m-85 -117.92 124.63 28.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.482 ' HG3' ' HD2' ' A' ' 24' ' ' ARG . 38.3 Cg_endo -65.7 146.35 83.72 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.517 2.145 . . . . 0.0 112.223 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.418 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 121.007 0.432 . . . . 0.0 111.187 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 18' ' ' ARG . 11.0 p -73.11 141.65 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' N ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -76.52 107.18 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.896 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 20' ' ' LYS . 91.8 t -125.44 140.68 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.817 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HB3' HG21 ' A' ' 27' ' ' ILE . 6.0 mtpt -130.23 120.27 24.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.819 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -82.11 164.49 21.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.28 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 0.7 OUTLIER -139.52 76.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.632 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.581 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 25.3 t80 -83.74 114.28 21.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 2.9 ptt85 53.8 12.82 0.45 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.709 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.89 41.96 1.75 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.642 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -136.74 122.47 19.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 110.798 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.52 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -82.23 127.69 39.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.445 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 1.7 mpp? -122.0 131.21 53.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.759 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.7 mm -83.24 112.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 t -147.23 132.76 18.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -118.16 134.5 54.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 31.3 m-85 -118.54 172.25 7.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.73 155.5 75.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.692 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.59 -12.25 27.32 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.516 2.144 . . . . 0.0 112.383 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 p -123.68 70.92 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.92 147.35 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.68 163.55 13.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -63.63 -25.06 68.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.83 -58.47 7.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.78 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.13 -27.75 73.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.419 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -15.35 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.754 0.312 . . . . 0.0 110.765 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.25 -54.79 9.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.556 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.436 ' HB3' ' NH2' ' A' ' 46' ' ' ARG . 35.0 m-80 -66.01 -23.97 66.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.496 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.16 -57.04 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.48 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.516 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 89.9 t -62.33 -28.0 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.615 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.436 ' NH2' ' HB3' ' A' ' 43' ' ' ASN . 3.2 ttp180 -71.73 -34.53 69.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.837 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -32.73 67.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.91 -20.17 29.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.154 -179.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -97.87 -9.98 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.7 t 56.76 86.05 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -119.55 -174.44 2.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.662 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -89.69 12.58 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.696 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.46 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 61.84 9.65 3.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.255 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -139.24 -7.69 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.71 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.11 153.55 33.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.593 ' HB3' ' HB3' ' A' ' 99' ' ' CYS . 0.2 OUTLIER -103.92 140.77 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -168.29 144.71 3.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -122.9 118.02 26.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.737 -179.623 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.5 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 39.8 mtm -89.2 167.99 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.719 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 2.8 mttm -148.62 102.81 3.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.729 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.686 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 21.6 p-90 -54.32 117.5 3.34 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.455 0.645 . . . . 0.0 111.405 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.679 HG12 ' HG3' ' A' ' 68' ' ' PRO . 10.3 mt -71.32 134.56 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.302 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.15 -162.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -39.84 50.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.252 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -92.12 13.81 17.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.252 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.513 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 82.85 63.82 1.72 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.308 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.82 81.77 66.31 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.564 0.221 . . . . 0.0 111.488 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.679 ' HG3' HG12 ' A' ' 62' ' ' ILE . 38.2 Cg_exo -59.87 115.75 2.83 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.549 2.166 . . . . 0.0 111.745 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 65.9 m -117.26 143.24 46.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.044 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -53.55 121.27 7.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.374 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.523 HG21 HD12 ' A' ' 77' ' ' LEU . 11.0 p -105.59 41.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.412 0.625 . . . . 0.0 111.096 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.0 p -81.34 30.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.897 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.6 138.01 25.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.676 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -62.3 -32.22 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.468 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 0.6 OUTLIER -72.17 -28.92 63.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.952 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -45.89 88.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.002 0.429 . . . . 0.0 110.4 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.523 HD12 HG21 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -69.08 -28.22 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.036 179.418 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -38.42 74.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.417 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.6 -27.46 65.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.195 0.522 . . . . 0.0 109.975 179.45 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.497 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -68.63 -46.15 69.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.887 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -58.79 -41.68 87.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.617 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 82' ' ' ARG . 1.5 mtm-85 -65.81 -29.19 69.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 179.85 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.885 0.374 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.7 99.8 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.324 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.522 ' HB2' ' HB ' ' A' ' 62' ' ' ILE . 74.0 mt -104.85 154.56 19.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.686 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 7.7 mt -147.24 156.94 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.406 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.5 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -118.93 106.68 12.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.613 179.762 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.564 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.7 t -78.61 123.47 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 58' ' ' THR . 53.1 m-85 -119.45 129.59 25.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.93 114.64 3.97 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . 0.593 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 3.4 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.909 0.385 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.22 129.01 35.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.187 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.78 117.78 17.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.745 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 20' ' ' LYS . 40.0 t -124.95 141.36 45.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' N ' HG13 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -127.63 119.98 27.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.739 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.89 142.82 32.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.569 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 6.0 m-85 -121.51 75.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.312 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 1.1 t80 -83.35 113.69 20.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.364 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.16 21.04 4.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.249 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.83 44.13 3.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.575 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.58 122.17 16.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 0.0 110.575 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.427 HD11 ' N ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -73.85 142.52 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.426 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -136.48 135.0 38.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.692 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.4 mm -83.2 110.8 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -148.54 127.29 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -117.97 149.7 40.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.443 ' HE1' ' HG3' ' A' ' 44' ' ' GLU . 97.6 m-85 -135.07 164.63 27.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -90.31 151.79 44.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.672 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.05 -25.63 13.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.637 2.225 . . . . 0.0 112.627 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.23 57.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.01 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 37' ' ' SER . 5.2 tp -117.13 147.95 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.037 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.652 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -107.65 160.7 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.48 -33.32 75.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.652 ' HG2' ' HB2' ' A' ' 37' ' ' SER . 1.2 pt-20 -56.46 -51.33 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.54 -20.63 78.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.366 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.88 -16.99 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.352 . . . . 0.0 110.711 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -81.18 -44.02 18.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.666 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -69.12 -27.08 65.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.333 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG3' ' HE1' ' A' ' 32' ' ' PHE . 13.2 mm-40 -75.47 -38.63 59.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.611 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.501 HG13 ' HE2' ' A' ' 48' ' ' MET . 27.9 t -71.04 -40.85 76.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.456 ' HA ' ' HD2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -72.9 -22.47 60.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.91 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -76.49 -41.49 46.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.048 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.501 ' HE2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -79.08 -29.58 43.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.002 -179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.5 t -86.67 -6.18 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.98 88.58 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.456 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 6.3 m-85 -119.35 -168.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.678 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.436 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -85.63 14.89 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.423 . . . . 0.0 110.841 179.73 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.436 HD21 ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 54.95 21.42 3.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.18 179.363 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -163.51 0.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.812 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.77 159.82 24.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.454 HD11 ' N ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -105.5 140.35 38.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.808 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.576 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 9.4 p90 -169.1 137.45 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 18.8 m -113.8 122.95 48.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.355 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.436 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -97.43 165.14 12.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.615 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.495 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -142.6 110.08 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.589 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.695 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 14.8 p-90 -59.32 124.05 18.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.317 0.579 . . . . 0.0 111.708 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.452 HG12 ' HG3' ' A' ' 68' ' ' PRO . 12.8 mt -68.01 131.72 33.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.631 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -70.55 -160.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -84.78 -15.98 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -115.7 19.04 15.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.183 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.45 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 77.41 59.57 3.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.308 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.631 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 7.3 m-20 -130.44 82.2 65.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.573 0.225 . . . . 0.0 111.023 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HB3' ' HB2' ' A' ' 95' ' ' HIS . 53.1 Cg_exo -55.46 97.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.508 2.138 . . . . 0.0 111.847 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.415 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 44.6 t -94.89 133.97 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.747 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.38 110.12 0.16 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.626 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.596 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.2 p -101.33 29.11 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.6 p -82.12 55.86 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.857 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.63 154.69 24.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.806 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -42.49 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -18.0 60.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.596 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 1.1 tp10 -65.41 -49.94 67.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tp -69.35 -31.1 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.122 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -38.52 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.141 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.31 -29.82 65.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.701 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.577 ' HB2' HD23 ' A' ' 92' ' ' LEU . . . -71.52 -30.6 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.863 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.36 -49.81 31.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.738 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -61.08 -40.99 95.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.751 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 179.769 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.844 0.355 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.577 HD23 ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -82.53 117.65 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.517 ' C ' HG13 ' A' ' 94' ' ' ILE . 94.6 mt -113.75 141.52 47.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.509 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.695 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 3.2 mt -142.91 159.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.628 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.569 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -118.42 107.03 13.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.851 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 42.1 t -78.0 122.09 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.981 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 58' ' ' THR . 38.8 m-85 -123.63 113.99 28.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.576 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 38.1 Cg_exo -56.97 166.48 3.96 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.376 2.051 . . . . 0.0 112.23 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.87 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.23 166.69 3.09 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.562 2.174 . . . . 0.0 112.256 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.3 153.73 33.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.63 -71.8 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.543 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.08 11.91 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.718 0.294 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -61.63 106.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -72.03 134.5 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -73.04 116.38 13.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 t -123.07 127.94 74.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 117.08 29.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.563 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.7 161.91 19.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.447 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 2.7 m-85 -141.13 81.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.619 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 26.6 t80 -90.97 111.07 22.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.686 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 57.0 21.12 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.7 49.14 2.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.588 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 30.8 t70 -142.27 120.48 12.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.773 0.32 . . . . 0.0 110.778 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.563 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -84.01 130.78 35.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.29 136.44 52.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.4 mm -85.69 101.19 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.197 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 t -134.49 128.64 33.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -117.63 140.18 50.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.023 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -120.75 158.86 26.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.764 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.595 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -71.36 157.56 89.8 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.53 -18.0 61.42 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.4 2.067 . . . . 0.0 112.216 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -111.58 42.8 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.595 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 1.2 tp -97.38 146.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.496 ' N ' HG13 ' A' ' 36' ' ' ILE . 60.3 p -109.77 171.16 7.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.577 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -74.66 -26.98 60.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -43.72 98.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.97 -18.44 65.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD11 HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -70.7 -14.71 62.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.44 -40.69 29.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.748 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -76.51 -23.61 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.52 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -40.04 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.727 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.619 HG13 ' HE1' ' A' ' 48' ' ' MET . 62.5 t -69.46 -37.62 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.451 HH11 ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -76.64 -22.07 54.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.851 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 1.5 t0 -76.13 -43.23 44.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.842 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.619 ' HE1' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -74.37 -32.96 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.23 -10.26 50.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m 57.33 89.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -116.62 -168.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.761 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.441 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -88.36 13.69 11.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.441 HD21 ' C ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER 55.7 25.4 8.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.144 179.38 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -165.08 -0.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.8 152.96 44.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.951 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.31 143.29 28.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.692 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.476 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 10.3 p90 -168.65 152.03 5.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -127.43 114.75 17.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.388 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.517 ' HG2' ' HA ' ' A' ' 96' ' ' VAL . 50.0 mtm -90.65 164.5 14.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.289 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 4.6 mttt -146.37 105.31 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.68 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.663 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 10.3 p-90 -63.05 124.23 20.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.323 0.582 . . . . 0.0 111.163 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.675 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -68.13 147.4 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.041 -179.53 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.689 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -80.93 -157.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -83.47 -21.37 32.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -106.83 4.55 27.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.052 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.675 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 91.91 59.85 1.3 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.689 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 44.9 m-20 -130.25 92.75 35.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.585 0.231 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.547 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.1 Cg_exo -64.24 109.06 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.734 2.29 . . . . 0.0 111.669 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.8 t -115.43 148.98 38.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.145 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.14 121.01 3.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.45 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.758 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 5.4 p -107.57 20.71 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.113 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 t -80.51 59.26 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.673 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 14.0 t -160.4 143.3 13.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.765 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -36.1 81.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.91 -17.87 49.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.758 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.4 OUTLIER -66.17 -56.22 12.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.84 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.419 HD21 HD11 ' A' ' 41' ' ' LEU . 2.8 tp -68.79 -29.02 67.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.991 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -37.81 87.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.077 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.23 -28.64 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.764 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.551 ' HB3' HD23 ' A' ' 92' ' ' LEU . . . -72.26 -38.21 68.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.388 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.1 -37.09 84.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.305 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -29.49 63.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.502 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.606 ' HA ' ' HB2' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -69.08 -30.86 69.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.628 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 90' ' ' SER . 63.2 t80 -56.03 -41.31 74.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -91.38 -17.59 25.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.025 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 83' ' ' LEU . 1.3 mt -72.52 -16.04 61.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.81 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -142.76 59.04 1.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.791 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.6 mttp 61.13 -87.34 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.076 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.35 80.48 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.819 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.401 ' HB2' ' HA ' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -83.3 93.45 7.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.678 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -48.23 122.97 5.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.084 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.551 HD23 ' HB3' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -72.13 102.14 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.678 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.476 ' C ' HG13 ' A' ' 94' ' ' ILE . 1.5 mp -107.78 144.84 34.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.663 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 8.5 mt -143.7 154.98 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.657 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.403 ' N ' HG23 ' A' ' 94' ' ' ILE . 3.7 m-70 -114.35 107.44 15.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.619 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.2 t -78.19 124.26 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.565 ' HB2' ' O ' ' A' ' 58' ' ' THR . 71.8 m-85 -118.85 131.46 24.31 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.048 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.54 115.24 4.21 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.506 2.138 . . . . 0.0 112.344 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.476 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.132 0 CA-C-O 120.155 -0.247 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.46 150.05 51.19 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.514 2.143 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 mp -124.17 85.91 2.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.825 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.3 65.68 0.57 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.552 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.42 -49.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.823 0.344 . . . . 0.0 110.663 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -142.44 113.23 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.48 HG21 ' N ' ' A' ' 18' ' ' ARG . 7.7 p -76.67 139.95 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.028 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.48 ' N ' HG21 ' A' ' 17' ' ' VAL . 16.0 ttp-105 -76.18 111.82 12.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.772 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.473 HG12 ' O ' ' A' ' 92' ' ' LEU . 78.3 t -121.11 129.42 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HB2' ' HG ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -114.48 115.71 27.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.674 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.511 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.63 158.24 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.8 OUTLIER -144.26 73.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.535 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 30.7 t80 -83.54 107.03 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.39 22.95 6.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.5 32.98 5.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -119.68 113.84 21.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 110.722 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -84.18 105.8 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.192 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.587 ' HE3' ' HG ' ' A' ' 49' ' ' CYS . 0.1 OUTLIER -111.57 129.74 55.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -78.61 119.29 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.055 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.456 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.2 t -148.78 130.67 15.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.037 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -116.85 135.75 53.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -117.1 166.76 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' O ' HG21 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -97.47 155.29 37.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -77.94 33.71 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.545 2.163 . . . . 0.0 112.624 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.27 11.53 1.53 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.414 HG21 ' O ' ' A' ' 33' ' ' GLU . 16.0 tt -104.51 143.68 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 p -90.38 177.87 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -76.02 -28.01 57.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.29 -45.39 88.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.716 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.7 -24.92 71.11 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.207 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.89 -14.31 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.59 -36.53 37.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.275 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -79.18 -24.89 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.347 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -73.89 -40.69 63.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.746 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.495 HG12 ' HE1' ' A' ' 48' ' ' MET . 72.8 t -69.46 -39.68 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.668 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -76.33 -19.36 58.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.829 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -78.4 -34.13 48.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.738 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.495 ' HE1' HG12 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -88.35 -20.83 24.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.966 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.587 ' HG ' ' HE3' ' A' ' 28' ' ' MET . 5.6 t -100.79 -4.11 28.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.1 m 57.24 89.51 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.668 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 3.1 m-85 -117.99 -170.75 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.649 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.477 ' C ' HD21 ' A' ' 53' ' ' ASN . 20.1 m-20 -91.58 10.98 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.618 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.477 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.2 m-80 63.72 0.72 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.755 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -142.61 2.61 1.42 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.882 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.52 152.3 45.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.823 0.344 . . . . 0.0 110.979 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.82 140.89 33.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.464 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 6.9 p90 -168.64 130.24 1.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.807 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.546 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 17.1 m -104.1 119.0 38.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 0.0 111.47 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.408 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -94.78 167.91 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.75 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.495 ' HG2' ' N ' ' A' ' 70' ' ' THR . 17.0 mttt -145.22 102.77 3.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.786 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.723 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 10.6 p-90 -60.98 122.25 14.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.159 0.504 . . . . 0.0 111.504 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.627 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -68.12 146.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.964 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.601 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.6 OUTLIER -81.31 -168.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.894 -179.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -77.61 -10.06 59.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.01 -0.69 12.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.788 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.627 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 95.35 55.94 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.383 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.601 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 22.9 m-20 -128.33 91.39 44.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.644 0.259 . . . . 0.0 111.163 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.478 ' HG3' HG13 ' A' ' 62' ' ' ILE . 38.1 Cg_exo -60.85 117.29 4.04 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.783 2.322 . . . . 0.0 111.637 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -114.59 137.91 51.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.776 0.322 . . . . 0.0 111.143 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.495 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 3.9 m -54.71 117.25 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.427 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 p -118.47 118.12 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 p -151.52 38.01 0.61 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.75 160.77 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -72.48 -33.25 66.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.02 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.36 -24.79 34.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.194 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -61.87 -59.78 4.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.82 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.2 -28.33 69.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.243 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.513 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 2.7 tt0 -66.7 -34.47 77.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.333 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -73.19 -28.45 62.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.717 179.393 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.475 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -69.66 -37.76 76.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.864 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.489 ' HA ' HD12 ' A' ' 92' ' ' LEU . 4.5 m-85 -66.18 -45.84 79.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -35.18 73.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.27 -38.08 89.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.732 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.418 ' HB2' HD13 ' A' ' 92' ' ' LEU . 86.9 t80 -64.0 -33.76 76.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -94.74 6.98 47.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.077 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.6 -34.33 10.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -121.22 50.96 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.753 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.6 mttm 63.69 -82.28 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.151 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.67 93.71 2.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 m -83.21 -11.04 58.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 59.23 100.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.047 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -72.3 92.76 1.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.826 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.528 ' C ' HG13 ' A' ' 94' ' ' ILE . 3.3 mp -106.01 149.13 26.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.723 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 4.5 mt -145.36 152.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.531 ' N ' HG21 ' A' ' 94' ' ' ILE . 4.4 m-70 -110.85 107.07 16.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.521 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.535 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 46.7 t -79.44 120.9 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.998 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.546 ' HB2' ' O ' ' A' ' 58' ' ' THR . 60.0 m-85 -116.52 122.49 31.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.34 117.72 4.94 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.53 2.153 . . . . 0.0 112.386 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.464 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 4.8 t . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.18 -0.914 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.098 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.5 -45.39 40.1 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.675 2.25 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.08 34.19 23.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.038 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.94 66.18 1.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.56 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 t -166.92 -49.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 9.6 pt20 -153.56 105.13 2.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.814 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 p -72.91 132.3 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.144 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -71.78 116.71 12.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.63 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.453 HG11 ' O ' ' A' ' 92' ' ' LEU . 85.6 t -128.83 142.47 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.47 ' HB2' HD12 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -130.6 116.72 18.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.691 179.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.05 163.56 19.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.261 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.416 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 2.0 m-85 -142.44 74.28 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.98 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.569 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 22.7 t80 -83.86 109.5 17.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.671 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 55.92 26.89 10.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 38.91 6.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.643 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.3 m-20 -129.62 119.41 23.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.335 . . . . 0.0 110.785 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -82.18 130.36 35.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.251 -179.889 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.49 123.6 36.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mm -79.25 105.71 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 t -138.42 136.28 36.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 16' ' ' GLN . 2.4 m-70 -118.88 135.68 54.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -120.39 178.92 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.62 150.42 69.85 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.739 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.27 -9.27 25.37 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.464 2.109 . . . . 0.0 112.401 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.11 47.04 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.8 tt -104.71 149.35 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.7 m -100.32 167.18 10.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -70.48 -27.48 64.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.765 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.9 -41.95 88.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.52 -21.45 58.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.598 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.26 -11.53 59.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.81 0.338 . . . . 0.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.4 t -81.78 -43.39 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.799 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -71.6 -25.63 62.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.512 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.98 -43.6 53.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.787 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 HG12 ' SD ' ' A' ' 59' ' ' MET . 56.8 t -67.65 -40.74 84.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.503 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -70.64 -25.06 62.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.789 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -70.24 -49.27 51.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -28.4 60.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t -88.56 -9.08 53.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.974 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 t 59.39 95.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.012 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.503 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 12.4 m-85 -131.14 -179.59 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.69 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -90.67 14.32 13.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.447 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 59.37 13.18 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.202 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -141.29 -12.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 158.55 6.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.17 139.41 39.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.544 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 6.2 p90 -169.04 139.19 2.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -113.56 114.17 26.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.472 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.507 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 9.5 mtm -100.67 138.12 38.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.55 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.496 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -123.77 116.56 23.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 -179.788 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.712 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 11.4 p-90 -57.75 122.85 13.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.397 0.618 . . . . 0.0 111.765 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 93' ' ' LEU . 6.8 mt -71.36 133.63 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.213 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.43 178.95 6.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.66 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.86 -31.49 72.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.772 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -92.25 -2.17 56.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.476 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 92.44 61.8 1.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.171 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.8 88.45 46.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.622 0.249 . . . . 0.0 111.155 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.496 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 32.0 Cg_exo -58.73 95.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.49 2.127 . . . . 0.0 111.715 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.481 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 12.5 m -96.85 134.15 40.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -46.3 109.87 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.486 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.84 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.2 p -94.14 26.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.063 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.6 56.9 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.592 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 13.4 t -162.15 142.9 10.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.577 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -63.61 -32.3 73.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.85 -21.66 37.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.197 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.84 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 3.2 tp10 -64.28 -47.66 78.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.477 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.44 -33.09 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.342 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -40.34 93.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.448 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -66.68 -32.27 73.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.178 179.574 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.534 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -62.74 -41.21 99.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.457 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.34 -38.78 90.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.175 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -68.11 -21.59 64.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.51 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -35.85 58.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.204 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.61 -30.43 67.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -107.18 25.59 11.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.019 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.36 10.22 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.75 58.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.58 -94.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.25 80.64 1.94 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.905 0.383 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.5 t -88.09 88.14 7.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.809 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.27 134.22 56.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.453 ' O ' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -71.98 99.95 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' A' ' 62' ' ' ILE . 1.6 mp -109.43 149.54 29.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.526 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.712 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 34.0 mt -146.3 155.51 12.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.507 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -113.1 107.26 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.783 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.569 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 58.6 t -78.62 116.41 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.956 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.549 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.4 m-85 -113.9 117.54 43.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.127 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.25 107.98 2.25 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.427 2.085 . . . . 0.0 112.337 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.544 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.573 -0.211 . . . . 0.0 112.573 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.12 173.7 13.24 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.518 2.146 . . . . 0.0 112.366 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.05 -19.47 5.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.811 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.03 -83.9 1.05 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.423 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.413 ' OG ' ' HG3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -154.78 23.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -64.64 115.08 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 p -72.57 132.45 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 18' ' ' ARG . 7.0 ttp180 -74.04 119.64 18.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 20' ' ' LYS . 48.4 t -128.09 138.41 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.502 ' HB3' HG23 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -126.46 117.6 23.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.883 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -81.48 154.19 26.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.476 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 4.9 m-85 -130.35 78.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.475 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.655 ' HH ' ' HB3' ' A' ' 98' ' ' PRO . 43.9 t80 -83.88 106.87 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.812 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.57 18.41 7.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.33 41.36 3.01 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.731 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -135.48 119.27 17.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.66 0.267 . . . . 0.0 110.799 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -78.08 128.43 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.07 133.2 53.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.73 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.3 mm -81.21 107.57 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -140.88 125.53 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.292 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -118.91 144.92 46.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -123.47 171.04 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.4 153.08 73.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.659 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.413 ' HG3' ' OG ' ' A' ' 15' ' ' SER . 61.2 Cg_endo -73.2 12.44 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.523 2.148 . . . . 0.0 112.493 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.52 31.9 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.5 tt -97.57 149.52 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 m -95.83 160.42 14.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.55 -21.62 66.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -55.52 33.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.952 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.45 -15.83 68.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.585 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.82 -17.47 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.6 t -70.51 -48.52 55.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.44 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 6.1 t30 -71.02 -24.85 62.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.287 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -41.15 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.696 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.503 HG12 ' HE1' ' A' ' 48' ' ' MET . 86.4 t -71.76 -41.79 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.422 ' CG ' ' HA ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -70.85 -17.87 62.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.887 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 16.6 t0 -76.47 -50.97 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.503 ' HE1' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -76.41 -26.2 55.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.266 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.36 -12.47 34.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.71 92.86 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -126.46 -170.79 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.753 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -93.94 16.71 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.802 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.438 HD21 ' N ' ' A' ' 53' ' ' ASN . 0.9 OUTLIER 55.1 23.46 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.151 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.84 -3.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.98 158.71 24.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.009 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.477 HD11 ' H ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -98.03 139.2 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.077 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.477 ' H ' HD11 ' A' ' 56' ' ' LEU . 11.4 p90 -169.87 153.63 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.557 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 5.0 m -133.38 115.47 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.016 0.436 . . . . 0.0 111.796 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -90.98 162.23 14.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.318 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.495 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 12.2 mttt -144.22 103.77 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.922 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.766 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 8.0 p-90 -59.73 123.34 16.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.227 0.537 . . . . 0.0 111.036 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.585 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.8 OUTLIER -67.9 146.61 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.091 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.724 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -81.79 -161.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.456 ' HA ' ' OD1' ' A' ' 89' ' ' ASP . 1.2 pt-20 -79.07 -20.97 47.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.63 15.56 21.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.585 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 81.12 60.68 2.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.529 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.724 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 30.5 m-20 -130.52 89.07 45.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 110.993 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.495 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 31.8 Cg_exo -59.1 110.98 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.633 2.222 . . . . 0.0 111.984 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.5 t -110.69 143.7 40.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.0 p -48.06 103.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.556 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.405 ' HB ' ' HD1' ' A' ' 61' ' ' TRP . 6.1 p -99.82 19.72 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.77 55.44 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.414 ' HB2' ' HB2' ' A' ' 76' ' ' GLU . 0.7 OUTLIER -154.22 162.74 40.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -77.11 -37.87 53.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.52 -24.65 36.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 73' ' ' SER . 0.1 OUTLIER -59.84 -60.95 3.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.74 -29.29 70.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.087 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -34.29 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.993 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.483 ' HG2' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -72.47 -31.8 65.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.598 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.483 ' N ' ' HG2' ' A' ' 79' ' ' GLU . . . -64.6 -39.98 94.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.716 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -70.89 -30.81 67.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.337 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -66.23 -30.15 70.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.199 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mp -76.02 -35.18 59.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.411 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -64.41 -26.23 68.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.721 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -59.63 -46.9 87.63 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.26 1.76 55.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.488 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 57.19 48.44 15.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.373 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -77.77 -8.4 57.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 0.0 110.515 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.456 ' OD1' ' HA ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -144.42 -28.88 0.49 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.645 179.726 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.87 19.02 5.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.309 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -171.18 127.2 0.69 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.0 111.045 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.53 109.85 21.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.747 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.515 ' C ' HG13 ' A' ' 94' ' ' ILE . 64.0 mt -112.83 148.21 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.811 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.766 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 5.4 mt -144.28 162.04 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.655 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.46 ' N ' HG21 ' A' ' 94' ' ' ILE . 1.4 m-70 -122.24 106.81 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.382 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 24.4 t -79.11 128.38 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.392 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' A' ' 58' ' ' THR . 79.1 m-85 -121.51 130.24 24.87 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.655 ' HB3' ' HH ' ' A' ' 23' ' ' TYR . 72.1 Cg_endo -76.7 111.02 3.16 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.429 2.086 . . . . 0.0 112.345 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.456 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 1.2 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.79 125.7 9.61 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.72 2.28 . . . . 0.0 112.378 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.59 97.26 3.13 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.442 ' O ' ' HB2' ' A' ' 15' ' ' SER . . . -118.1 166.74 12.8 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.624 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.442 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 47.5 m 74.03 -33.53 0.26 Allowed 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 122.635 0.374 . . . . 0.0 111.627 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 25.6 mt-30 -152.17 102.72 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 18' ' ' ARG . 7.1 p -78.43 139.47 18.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' N ' HG21 ' A' ' 17' ' ' VAL . 10.2 ttp180 -79.53 115.94 19.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 42.5 t -128.28 134.15 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.237 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HZ3' HG23 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -122.71 117.42 25.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.632 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -81.95 157.12 24.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -131.89 78.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.526 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.518 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 61.5 t80 -83.56 104.76 13.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.953 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.09 29.23 12.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 53.67 2.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.551 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.48 117.49 5.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.369 . . . . 0.0 110.772 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.566 HG23 ' HZ3' ' A' ' 20' ' ' LYS . 0.4 OUTLIER -82.15 129.88 36.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.473 ' HE3' ' SD ' ' A' ' 48' ' ' MET . 1.5 mpp? -127.52 134.1 49.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.79 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mm -78.17 115.32 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.324 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.8 t -149.2 128.33 12.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.026 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -118.7 147.72 43.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.984 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 41.2 m-85 -128.43 -174.11 3.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -101.54 151.25 37.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.37 -7.69 12.89 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.715 2.277 . . . . 0.0 112.202 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 t -131.11 58.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.996 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.7 tt -125.38 144.74 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.13 156.59 19.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.423 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 40.4 t80 -67.67 -20.41 65.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -60.64 -41.33 94.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.701 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.35 -24.11 69.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.327 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -11.62 55.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 0.0 110.843 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 t -77.84 -52.58 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -69.46 -29.28 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.96 -54.29 32.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.451 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.829 HG13 ' HE1' ' A' ' 48' ' ' MET . 43.1 t -61.11 -35.56 66.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.401 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.482 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 1.1 ttp180 -68.55 -29.61 68.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.712 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.24 -31.93 60.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.319 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.829 ' HE1' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.21 -13.01 33.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.084 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 t -105.75 -10.01 16.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.8 m 59.58 93.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.482 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 14.9 m-85 -124.89 -166.16 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.452 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -99.36 14.75 28.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.757 179.609 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.452 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 61.7 7.53 1.97 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.393 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.85 -2.12 1.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.743 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.37 152.98 32.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.99 137.6 40.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.574 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.3 p90 -169.24 146.66 3.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.533 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 6.2 m -127.66 121.81 31.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.125 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.456 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 2.6 mtm -103.11 151.93 21.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.753 ' HE2' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -130.17 116.7 18.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.382 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.793 ' H ' HG12 ' A' ' 71' ' ' VAL . 15.4 p-90 -59.74 121.47 11.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.339 0.59 . . . . 0.0 111.903 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.505 ' CG2' ' HA2' ' A' ' 66' ' ' GLY . 4.0 mt -67.84 130.54 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.594 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 5.5 t0 -71.3 -159.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.565 ' HG2' HD22 ' A' ' 87' ' ' ASN . 0.3 OUTLIER -79.67 -41.07 27.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.957 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -91.66 11.51 24.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.505 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 85.03 64.32 1.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.594 ' HB3' ' HB2' ' A' ' 63' ' ' ASP . 26.1 t0 -130.96 85.38 55.24 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-O 120.608 0.242 . . . . 0.0 111.302 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.477 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 46.7 Cg_exo -56.29 95.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.55 2.167 . . . . 0.0 112.096 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.432 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 10.5 t -85.19 128.1 34.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.653 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.753 HG23 ' HE2' ' A' ' 60' ' ' LYS . 5.1 m -53.53 107.92 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.416 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.793 HG12 ' H ' ' A' ' 61' ' ' TRP . 2.6 p -114.41 118.0 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.908 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.423 ' HA ' ' CE2' ' A' ' 38' ' ' PHE . 11.3 m -149.65 21.47 0.91 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -127.17 153.15 46.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.803 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -66.16 -29.07 69.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.34 -22.69 35.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -67.27 -55.31 14.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.65 -29.3 69.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.022 0.439 . . . . 0.0 109.999 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.42 -37.59 87.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.987 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.504 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -70.09 -29.73 66.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.712 179.147 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.504 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -65.14 -33.06 75.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.593 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -71.62 -42.37 67.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.581 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -37.66 84.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.727 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 tp -82.33 -22.63 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.127 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -65.38 -35.48 81.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.033 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -58.95 -34.0 71.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.994 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.66 89.2 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.565 HD22 ' HG2' ' A' ' 64' ' ' GLU . 2.1 t-20 -166.17 133.39 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.75 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -58.89 -20.69 53.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.794 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.38 -51.31 66.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.762 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.1 m 54.94 34.12 21.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -167.36 117.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.3 111.15 7.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.417 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.454 ' HB3' HD12 ' A' ' 62' ' ' ILE . 47.1 mt -111.45 148.59 32.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.928 0.394 . . . . 0.0 111.263 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.7 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 19.1 mt -146.07 154.75 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.16 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.456 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -113.57 106.8 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.675 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 10.8 t -77.01 122.91 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.815 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.533 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.3 m-85 -119.82 120.88 30.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.436 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.52 107.3 2.27 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.561 2.174 . . . . 0.0 112.231 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.574 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 33.9 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.576 -0.21 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.89 -19.14 11.17 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.594 2.196 . . . . 0.0 112.333 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.446 HD21 ' HH ' ' A' ' 84' ' ' TYR . 0.9 OUTLIER 57.51 -146.65 0.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' H ' ' HB3' ' A' ' 13' ' ' LEU . . . 88.72 33.79 9.71 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.112 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.04 -39.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.963 0.411 . . . . 0.0 110.458 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 18.5 mt-30 -146.3 103.0 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.778 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.98 130.89 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.991 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 -75.62 122.91 24.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.714 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 87.7 t -130.23 140.12 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.369 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.621 ' HD3' HD13 ' A' ' 93' ' ' LEU . 3.2 mttt -127.31 114.11 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.664 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -88.97 162.72 15.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.373 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.48 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 13.0 m-85 -133.1 76.23 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.506 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.523 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 8.3 t80 -83.35 112.43 19.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.661 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 55.4 28.94 12.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.981 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.32 48.34 5.11 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -142.5 119.54 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.733 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.489 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -81.55 113.99 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.13 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mtm -112.57 130.62 55.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mm -80.37 115.74 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 t -144.42 127.94 17.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -114.67 137.99 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 50.4 m-85 -119.83 -179.24 3.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.473 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 3.4 pm0 -107.68 151.62 41.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.06 -10.86 16.26 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.535 2.157 . . . . 0.0 112.623 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.08 48.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 111.249 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.473 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 9.4 tt -130.7 150.42 34.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.015 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.52 -174.88 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -78.89 -15.37 58.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.98 -58.66 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.52 -14.38 62.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.403 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.419 ' O ' HG21 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -69.57 -11.47 60.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.755 0.312 . . . . 0.0 110.891 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.0 t -78.96 -54.43 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -69.48 -31.5 69.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.3 -54.81 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.649 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 41' ' ' LEU . 76.1 t -63.83 -39.19 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.616 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -61.88 -23.62 66.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.688 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.22 -43.6 27.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.407 ' HE1' HG11 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -83.77 -1.24 53.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.6 m -117.58 -19.92 9.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.6 m 58.93 92.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -123.34 -166.01 1.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.65 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' C ' HD21 ' A' ' 53' ' ' ASN . 11.2 m-20 -93.34 14.45 18.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.608 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.463 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 62.25 5.84 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.3 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 7.0 mt-10 -141.7 -5.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.626 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.92 150.46 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.43 138.75 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.01 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.485 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 4.9 p90 -164.92 130.78 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.607 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 1.3 m -105.14 118.85 37.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.571 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.412 ' H ' ' HG3' ' A' ' 59' ' ' MET . 0.0 OUTLIER -89.79 166.79 13.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.504 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 56.9 mttt -143.9 103.32 4.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.716 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.547 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 11.5 p-90 -60.95 123.99 19.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.176 0.512 . . . . 0.0 111.353 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.546 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -67.87 144.94 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.903 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.492 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 3.5 m-20 -85.5 -172.92 4.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -68.01 -17.41 64.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -111.62 18.88 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.546 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 71.54 54.32 8.84 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.371 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.492 ' HB3' ' HB2' ' A' ' 63' ' ' ASP . 8.2 t70 -123.51 92.44 48.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 110.993 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.526 ' HG3' HG13 ' A' ' 62' ' ' ILE . 32.3 Cg_exo -61.82 104.99 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.668 2.246 . . . . 0.0 111.881 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.5 t -111.82 152.26 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.975 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -44.78 125.43 4.97 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.45 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 p -125.16 23.21 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.049 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -80.9 57.27 3.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.29 142.93 13.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.54 -30.86 71.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -23.34 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.88 -54.17 30.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tp -66.34 -25.69 66.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.983 0.42 . . . . 0.0 110.068 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -35.79 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.203 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -73.32 -23.83 60.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.858 179.346 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.434 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -74.1 -36.11 64.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.786 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.7 -45.1 72.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.716 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -36.72 81.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.41 -20.52 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.707 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.446 ' HH ' HD21 ' A' ' 13' ' ' LEU . 37.4 t80 -64.65 -32.12 73.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -28.93 69.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.634 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.42 87.14 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.711 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -164.72 135.86 4.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -58.58 -21.98 54.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.305 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -51.02 62.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.853 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.0 m 56.26 33.81 22.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.626 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.66 123.98 0.93 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -73.28 114.95 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.621 HD13 ' HD3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -117.88 145.65 44.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.63 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.547 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 15.4 mt -144.97 157.04 13.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.694 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.509 ' N ' HG22 ' A' ' 94' ' ' ILE . 4.4 m-70 -116.71 107.18 14.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.689 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 61.8 t -77.51 123.41 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 58' ' ' THR . 69.4 m-85 -118.71 116.44 34.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.481 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 48.2 Cg_endo -68.82 114.99 3.73 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.412 2.075 . . . . 0.0 112.163 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.485 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 CA-C-O 120.187 -0.229 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.74 131.26 18.2 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.586 2.191 . . . . 0.0 112.432 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD21 ' O ' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -129.15 59.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.51 70.18 1.02 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.69 -52.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.767 0.317 . . . . 0.0 110.857 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 2.2 pt20 -151.73 116.27 5.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 17' ' ' VAL . 8.1 p -82.64 136.12 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.42 HH11 ' NE2' ' A' ' 31' ' ' HIS . 10.4 mtt-85 -75.8 116.34 16.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 92' ' ' LEU . 90.7 t -126.04 139.97 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' HG2' HG21 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -128.85 108.32 10.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.6 163.06 23.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.492 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -136.32 79.79 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.667 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 45.8 t80 -83.69 100.4 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 56.77 29.48 16.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.78 37.32 5.28 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.583 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.438 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.2 OUTLIER -126.56 111.13 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.458 HG21 ' HG2' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -78.32 112.37 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.438 ' SD ' ' HB3' ' A' ' 26' ' ' ASP . 2.9 mpp? -114.98 111.78 21.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.6 mp -79.86 97.43 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.041 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.2 t -127.98 138.75 52.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.832 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.42 ' NE2' HH11 ' A' ' 18' ' ' ARG . 2.7 m-70 -116.54 145.82 43.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.371 . . . . 0.0 111.102 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.506 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 20.1 m-85 -128.41 -167.99 1.85 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.807 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -91.94 155.15 43.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.24 -15.89 52.19 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.436 2.091 . . . . 0.0 112.307 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 m -118.27 41.76 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.807 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.46 HG12 HD13 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -91.48 148.28 4.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.243 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.34 175.14 5.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.777 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -73.57 -34.27 65.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 5.4 pt-20 -56.61 -39.71 74.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.781 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . -84.69 -26.96 36.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.3 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.67 HD21 HD13 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -66.98 -17.3 64.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 0.0 110.759 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -40.29 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.216 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.1 -20.66 59.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.401 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -78.14 -50.63 11.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.411 HG22 ' HE1' ' A' ' 59' ' ' MET . 79.1 t -64.62 -28.59 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.721 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -31.23 54.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -72.4 -29.13 63.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.173 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.21 -31.64 16.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.177 -179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.7 t -87.36 -13.34 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.143 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.22 82.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -103.16 -173.61 2.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.449 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -87.68 15.55 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.526 179.578 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.526 HD21 ' N ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER 58.01 24.02 10.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.951 179.417 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -162.74 5.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.76 151.41 36.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.068 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -100.75 144.52 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -174.82 142.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.649 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -122.5 119.92 32.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.296 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.411 ' HE1' HG22 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -88.79 167.53 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.555 179.649 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.562 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 68.4 mttt -148.02 103.75 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.105 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.799 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 18.9 p-90 -61.99 120.38 10.69 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.33 0.586 . . . . 0.0 111.009 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.607 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -68.34 148.47 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.153 -179.502 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.488 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -81.15 -151.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.951 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -85.95 -29.86 23.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.223 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.67 4.44 38.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.607 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 95.82 64.52 0.96 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.488 ' H ' ' H ' ' A' ' 63' ' ' ASP . 1.2 t0 -130.65 89.21 44.27 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.551 0.215 . . . . 0.0 111.233 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.562 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.6 Cg_exo -63.13 110.17 1.11 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.681 2.254 . . . . 0.0 111.808 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.6 t -110.23 138.66 46.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.486 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -52.44 110.01 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.423 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.759 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 7.4 p -95.7 26.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -79.49 45.41 0.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.1 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.04 143.69 23.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -43.72 98.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -22.47 62.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.759 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 1.2 tp10 -64.5 -61.26 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.67 HD13 HD21 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -62.78 -27.21 69.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.965 0.412 . . . . 0.0 110.053 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -33.79 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.999 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.04 -27.42 61.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.7 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.02 87.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.678 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -66.07 -40.65 91.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.497 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -30.86 69.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.263 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -30.09 58.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.309 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -69.33 -21.3 63.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.675 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.83 -41.27 81.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.609 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.6 mt -96.7 -2.25 44.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.442 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.86 52.87 8.82 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.071 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -78.65 -7.33 57.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.612 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.26 -23.12 1.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.539 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.2 m 62.2 9.75 3.38 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.413 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -175.82 143.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.732 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -93.18 99.43 12.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.675 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.416 ' C ' HG13 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -95.94 140.7 30.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.799 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 13.4 mt -144.43 157.02 14.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.508 ' N ' HG21 ' A' ' 94' ' ' ILE . 5.9 m-70 -121.61 107.25 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 3.7 t -78.23 126.02 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.643 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' THR . 69.7 m-85 -120.55 122.63 28.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.387 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.47 131.93 19.73 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.527 2.151 . . . . 0.0 112.302 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.863 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -57.42 -57.94 1.06 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.66 2.24 . . . . 0.0 112.182 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mt 57.91 88.48 0.06 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.075 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.89 -57.65 5.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.298 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.481 ' HB3' ' HG3' ' A' ' 34' ' ' PRO . 72.8 m -152.92 21.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 110.318 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -75.65 115.11 14.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.753 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.419 HG22 ' CD2' ' A' ' 84' ' ' TYR . 7.4 p -71.93 137.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.212 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -79.77 114.65 18.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.0 143.76 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.026 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.29 126.09 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.581 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.578 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.14 162.16 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.392 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -142.39 71.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.269 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.587 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 36.1 t80 -86.25 105.63 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.043 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.593 ' HE ' ' HG3' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 53.04 32.96 13.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.05 44.7 4.68 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.74 109.13 8.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.725 0.297 . . . . 0.0 110.732 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.578 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -87.75 105.19 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.5 mtt -106.82 140.52 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.0 mm -86.13 109.91 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.62 125.58 29.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.823 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -114.36 137.92 51.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -119.65 -177.37 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' O ' HG23 ' A' ' 36' ' ' ILE . 5.1 mt-10 -114.14 154.24 46.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.572 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.481 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 95.7 Cg_endo -78.74 40.04 0.87 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.517 2.145 . . . . 0.0 112.63 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -154.27 17.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.443 HG23 ' O ' ' A' ' 33' ' ' GLU . 3.8 tt -106.93 147.0 12.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.206 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.4 p -96.16 175.77 6.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -79.74 -17.29 53.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.22 -42.92 99.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.064 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.3 -16.32 67.07 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.614 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.494 HD22 HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -67.38 -11.41 57.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.764 0.316 . . . . 0.0 111.071 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.5 t -77.52 -44.63 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.408 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 10.9 m-20 -75.02 -23.69 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.635 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.49 -43.08 51.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.672 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.805 HG13 ' HE1' ' A' ' 48' ' ' MET . 48.1 t -67.91 -36.32 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.945 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.556 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -77.56 -23.82 49.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.971 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.92 -37.04 70.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.805 ' HE1' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -81.99 -30.86 31.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.24 -7.17 45.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.11 90.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.556 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 8.5 m-85 -121.97 -177.63 3.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.736 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.3 OUTLIER -87.77 9.46 21.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.485 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 59.94 8.24 1.37 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.631 179.245 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -140.65 -7.6 1.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.05 170.19 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.264 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.78 142.58 40.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -169.49 158.92 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.549 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -139.59 114.83 9.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.429 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.528 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 12.5 mtm -88.89 162.31 16.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.623 ' HE2' ' HG1' ' A' ' 70' ' ' THR . 1.0 OUTLIER -139.4 104.28 4.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -179.717 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.531 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 7.9 p-90 -69.27 142.14 54.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.5 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -81.4 136.0 23.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.408 ' HB3' ' H ' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -73.87 -156.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.099 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.408 ' H ' ' HB3' ' A' ' 63' ' ' ASP . 10.3 mt-10 -78.12 -24.45 47.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -107.6 14.57 25.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.98 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.5 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 78.78 60.37 2.62 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.344 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.89 91.17 47.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.585 0.231 . . . . 0.0 111.112 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.423 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 28.0 Cg_exo -61.84 88.18 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.582 2.188 . . . . 0.0 111.671 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.49 150.16 24.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.836 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.623 ' HG1' ' HE2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -46.27 130.19 10.45 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.588 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.595 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 7.4 p -118.37 33.36 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.518 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.33 49.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.164 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.619 ' HB2' ' HB2' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -153.41 134.53 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.767 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.57 -33.18 69.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -24.5 36.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.619 ' HB2' ' HB2' ' A' ' 73' ' ' SER . 0.7 OUTLIER -62.44 -56.99 12.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.494 HD12 HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -65.61 -31.56 72.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.331 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -35.16 80.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.374 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.29 -27.02 61.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.852 179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.46 ' HB2' HD22 ' A' ' 92' ' ' LEU . . . -66.06 -44.08 85.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.662 179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.493 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 8.9 m-85 -64.12 -42.61 96.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.443 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -60.94 -27.98 68.61 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.579 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tp -81.93 -22.37 36.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.669 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.419 ' CD2' HG22 ' A' ' 17' ' ' VAL . 29.2 t80 -82.39 -22.92 35.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 81' ' ' PHE . 4.0 mm-40 -56.52 -30.67 63.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.13 -156.43 0.74 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.35 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 46.41 40.22 7.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.085 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.14 -84.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.86 104.56 3.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.741 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -63.94 -16.51 61.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 56.15 90.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.798 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -72.35 82.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.442 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 37.7 mt -99.08 98.25 9.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.531 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 3.0 mt -95.01 147.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.528 ' O ' ' HA ' ' A' ' 59' ' ' MET . 14.7 m-70 -110.36 107.41 17.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.587 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 16.6 t -76.53 126.94 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.795 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.549 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.1 m-85 -117.58 127.63 26.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.593 ' HG3' ' HE ' ' A' ' 24' ' ' ARG . 57.1 Cg_endo -71.18 109.7 2.64 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.464 2.11 . . . . 0.0 112.27 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.981 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.98 143.83 95.46 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.609 2.206 . . . . 0.0 112.252 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.08 66.78 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.782 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.51 66.78 1.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.452 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.6 p -159.06 -52.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.574 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 6.7 pt20 -167.93 127.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.857 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.438 HG21 ' N ' ' A' ' 18' ' ' ARG . 3.5 p -77.84 136.73 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.451 ' HG2' ' HG2' ' A' ' 91' ' ' GLU . 4.4 ttt180 -72.81 106.26 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.673 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 HG13 ' N ' ' A' ' 20' ' ' LYS . 82.6 t -116.06 144.83 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.051 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' N ' HG13 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -134.18 116.76 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.777 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.416 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.51 160.33 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.42 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.437 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 2.4 m-85 -140.42 77.0 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.47 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 16.5 t80 -83.41 102.94 12.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.823 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER 54.42 28.59 9.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.218 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.17 39.32 4.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.19 110.94 12.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.725 0.297 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -84.94 118.54 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 mtt -124.16 124.86 43.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.78 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mm -78.74 109.06 13.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.063 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.0 t -136.8 132.49 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 16' ' ' GLN . 3.7 m-70 -119.08 129.43 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -113.91 143.28 44.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.18 146.14 88.88 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.747 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.62 -14.72 10.73 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.572 2.181 . . . . 0.0 112.553 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.5 m -107.2 59.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 111.19 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 tt -131.14 147.61 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.78 176.47 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -74.5 -29.1 61.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -57.71 -58.04 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.42 -20.43 78.29 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.451 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.514 ' O ' HG21 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -64.44 -17.17 63.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.0 -47.62 28.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.469 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -67.81 -22.14 65.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.446 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -73.03 -55.18 6.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.685 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.514 HG21 ' O ' ' A' ' 41' ' ' LEU . 33.1 t -64.91 -21.79 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.426 HH21 ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -81.74 -27.9 33.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.742 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' HB2' HH21 ' A' ' 46' ' ' ARG . 21.8 t70 -74.07 -34.29 63.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.055 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.68 -28.13 26.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t -94.1 -15.22 24.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.063 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.8 t 58.38 93.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -124.16 -165.51 1.37 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.488 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -94.91 13.0 26.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.488 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 63.29 0.51 0.8 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.585 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 52' ' ' ASP . 2.0 mt-10 -138.88 0.35 1.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.349 . . . . 0.0 110.811 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.95 153.62 33.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.151 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.89 140.55 32.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.696 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.52 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 12.2 p90 -171.95 145.99 1.94 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.577 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -126.29 117.18 22.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.309 -179.771 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.458 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 10.3 mtm -89.85 163.75 14.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.491 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 89.6 mttt -143.58 102.97 4.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.77 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.702 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 19.7 p-90 -58.58 121.49 11.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.307 0.575 . . . . 0.0 111.282 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.602 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -68.2 147.65 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.164 -179.676 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.455 ' H ' ' H ' ' A' ' 67' ' ' ASP . 1.5 t0 -83.46 -164.02 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.626 ' HG3' ' HG2' ' A' ' 65' ' ' GLU . 16.2 pt-20 -77.12 -16.97 58.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.626 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 13.7 mm-40 -114.34 17.76 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.602 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 77.38 58.43 3.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.387 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -127.61 91.72 44.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.652 0.263 . . . . 0.0 111.073 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.507 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 27.8 Cg_exo -62.21 117.3 4.15 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.775 2.317 . . . . 0.0 111.833 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.56 144.22 48.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.772 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.429 ' HA ' ' HG2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -43.96 126.32 4.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.387 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.567 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 5.7 p -123.14 18.43 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.039 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.36 57.9 3.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.99 156.9 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.679 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -36.19 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -22.75 36.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.567 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -59.56 -58.02 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.715 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.69 -25.86 68.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.991 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.08 -33.66 73.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.105 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -22.94 54.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.808 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.2 -32.78 56.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.725 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -75.45 -37.69 60.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.477 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.2 mpp_? -66.91 -39.31 87.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.216 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -30.35 68.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.244 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -83.68 -17.36 41.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.663 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -41.94 69.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.24 3.3 46.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.7 m120 58.13 44.07 19.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.051 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -70.45 -19.98 62.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.62 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.21 -96.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.497 ' HG ' ' H ' ' A' ' 91' ' ' GLU . 7.6 p -177.47 -61.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.791 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.497 ' H ' ' HG ' ' A' ' 90' ' ' SER . 2.0 mp0 -146.98 148.69 31.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.677 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -72.24 82.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.504 ' C ' HG13 ' A' ' 94' ' ' ILE . 3.1 mp -91.96 143.56 26.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.39 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.702 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 3.2 mt -141.71 158.69 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.511 ' N ' HG22 ' A' ' 94' ' ' ILE . 0.3 OUTLIER -114.24 107.04 15.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.552 179.697 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 15.8 t -78.06 118.11 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.577 ' HB2' ' O ' ' A' ' 58' ' ' THR . 65.3 m-85 -113.3 123.53 33.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.68 117.82 4.88 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.59 2.193 . . . . 0.0 112.236 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.52 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.141 0 CA-C-O 120.204 -0.22 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.81 -40.06 81.69 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.61 2.207 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.56 50.19 16.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.5 51.05 1.03 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.562 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 t -167.32 -41.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.686 0.279 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -140.85 158.87 43.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.222 -179.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -122.27 131.8 72.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.782 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.459 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -76.59 85.8 3.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.213 179.516 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.655 HG11 ' HB3' ' A' ' 92' ' ' LEU . 10.0 t -109.2 150.19 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.635 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 19' ' ' VAL . 3.1 mtpt -140.47 125.3 18.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.534 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.519 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -85.1 167.91 15.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.004 0.431 . . . . 0.0 111.497 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 23.7 m-85 -141.64 75.95 1.52 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.245 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.597 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 23.2 t80 -83.54 100.93 11.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.057 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 52.86 36.71 22.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.213 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.84 51.28 3.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.96 108.18 4.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.309 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -81.29 116.06 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -113.59 136.71 52.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 mm -80.29 120.83 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t -148.4 124.55 10.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.371 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.522 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 1.9 m-70 -114.95 106.42 14.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 62.5 m-85 -88.49 -176.27 5.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -113.7 151.76 44.91 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.766 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.34 21.19 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.579 2.186 . . . . 0.0 112.586 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.1 11.07 2.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.8 tt -98.53 140.59 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.33 161.45 22.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 58.1 t80 -70.28 -24.96 63.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.763 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -57.2 -48.29 79.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.658 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.33 -17.33 80.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.113 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -14.22 62.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 110.871 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 t -77.92 -40.9 38.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.461 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.408 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 3.3 m120 -74.35 -26.12 59.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.191 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.54 -31.37 57.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.609 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.506 HG12 ' HE2' ' A' ' 48' ' ' MET . 24.1 t -76.65 -42.45 34.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.97 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' CG ' ' HA ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -69.21 -26.13 64.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.946 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.2 -38.3 56.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.506 ' HE2' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -82.41 -20.13 37.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 t -102.14 -6.05 23.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.93 92.25 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -128.42 -170.32 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.727 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.427 ' C ' HD21 ' A' ' 53' ' ' ASN . 3.6 m-20 -89.87 16.12 8.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.795 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.427 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 55.36 22.08 4.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.194 179.489 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -159.67 0.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 150.43 49.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tp -97.69 138.58 34.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.72 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -168.51 138.29 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.562 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -112.62 115.18 28.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.292 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -100.06 148.41 24.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.031 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HB3' ' C ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -132.7 115.39 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.34 179.751 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.784 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 19.1 p-90 -62.68 120.21 10.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.325 0.583 . . . . 0.0 111.678 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.548 HG13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -68.58 144.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.954 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.662 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -75.77 -156.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.012 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -81.4 -20.25 40.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.025 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -109.11 -2.79 17.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.489 ' C ' HG12 ' A' ' 62' ' ' ILE . . . 102.04 56.21 0.85 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.724 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.662 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 14.3 m-20 -121.41 93.76 48.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.587 0.232 . . . . 0.0 110.845 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.548 ' HG3' HG13 ' A' ' 62' ' ' ILE . 32.6 Cg_exo -61.85 110.09 0.91 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.647 2.231 . . . . 0.0 111.809 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.507 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 67.4 m -106.2 123.05 47.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.443 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 4.2 m -48.58 106.4 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.421 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.603 HG11 ' H ' ' A' ' 61' ' ' TRP . 2.0 p -108.47 105.71 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.798 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.404 ' HA ' ' CE2' ' A' ' 38' ' ' PHE . 65.5 m -139.72 32.44 2.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.012 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 m -137.85 150.86 47.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -33.77 76.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.782 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -25.97 56.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.7 -51.9 66.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.716 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -32.98 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.365 179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.7 -36.87 79.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.074 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.441 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -72.74 -30.12 63.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.758 179.132 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.441 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -66.05 -39.91 90.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.403 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -69.69 -32.23 70.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.271 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -71.65 -27.46 63.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.599 179.71 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.666 ' HA ' ' HB2' ' A' ' 86' ' ' LEU . 1.3 tp -77.95 -28.89 49.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.705 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -52.55 -40.73 62.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.72 -13.93 35.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.739 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.666 ' HB2' ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -71.42 -34.46 70.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.961 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -120.91 59.96 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.995 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.69 -91.13 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.17 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.23 62.13 1.58 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.941 0.4 . . . . 0.0 110.843 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.34 88.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.759 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -54.87 135.8 47.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.655 ' HB3' HG11 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -72.1 128.27 35.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.52 ' C ' HG13 ' A' ' 94' ' ' ILE . 73.5 mt -129.25 141.62 51.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.368 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.784 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 4.2 mt -142.06 157.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.025 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.467 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -116.48 107.47 14.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.568 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 27.6 t -78.95 117.19 24.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.011 0.434 . . . . 0.0 110.749 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.562 ' HB2' ' O ' ' A' ' 58' ' ' THR . 55.1 m-85 -112.38 126.5 28.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.15 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.68 148.59 47.29 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.598 2.199 . . . . 0.0 112.303 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.983 179.895 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.599 -0.2 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.77 71.21 6.64 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.587 2.191 . . . . 0.0 112.518 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.564 ' HG ' ' HB2' ' A' ' 16' ' ' GLN . 1.7 tt -117.92 116.01 26.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.739 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.47 -59.03 1.17 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.404 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -142.68 13.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.397 . . . . 0.0 110.777 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.564 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . 35.8 mt-30 -65.62 112.5 3.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.819 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.7 135.29 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.286 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 18' ' ' ARG . 17.4 mtm180 -80.61 111.17 16.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.5 t -109.35 134.71 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.563 ' HD3' HD11 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -119.03 116.14 25.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.638 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.59 159.63 25.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.469 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.7 OUTLIER -137.71 74.43 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.526 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -83.72 118.02 23.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.324 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 51.04 25.05 2.1 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.75 42.69 5.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.663 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 7.4 m-20 -135.23 122.11 21.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.734 0.302 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.53 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -80.39 137.7 21.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.416 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -133.42 140.26 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.4 mm -89.39 101.45 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.255 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t -136.33 118.92 15.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.976 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.59 151.07 28.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -128.72 160.45 32.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.976 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.646 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 2.8 pm0 -72.28 156.6 90.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.65 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.42 -2.0 8.35 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.409 2.073 . . . . 0.0 112.556 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.2 m -135.47 68.41 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.646 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 3.0 tt -134.34 149.66 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.9 164.55 11.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.801 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -68.73 -15.47 63.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -48.67 70.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.71 -15.35 75.69 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.23 -9.8 58.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.6 t -74.58 -49.09 23.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.669 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -74.31 -26.7 60.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.67 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -66.66 -51.53 55.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.624 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.435 HG12 ' HE3' ' A' ' 48' ' ' MET . 94.2 t -66.33 -34.31 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.577 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -73.4 -21.65 60.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.952 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -78.86 -35.07 44.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.279 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.435 ' HE3' HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.04 -20.61 21.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.495 -179.5 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 t -104.6 -17.29 14.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.367 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.1 m 59.42 98.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.577 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 14.5 m-85 -120.76 -169.7 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.451 ' C ' HD21 ' A' ' 53' ' ' ASN . 3.2 m-20 -87.05 11.45 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.451 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 56.3 18.41 3.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.355 179.217 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.43 0.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.121 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.73 179.8 1.31 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.137 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.416 HD12 ' H ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -112.81 140.69 47.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.77 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.584 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 6.9 p90 -169.14 162.32 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.736 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -147.39 119.76 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 111.715 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.496 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 4.3 mtm -100.05 147.14 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.455 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.524 ' C ' HG23 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -127.14 111.01 13.5 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.921 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.723 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 42.9 p-90 -59.39 121.3 11.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.262 0.553 . . . . 0.0 111.556 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.606 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -67.84 151.38 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.208 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.49 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -88.67 -159.28 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.037 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -75.74 -31.01 59.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.189 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.52 19.09 20.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.224 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.606 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 78.89 60.52 2.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.515 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.49 ' H ' ' H ' ' A' ' 63' ' ' ASP . 1.8 t0 -128.19 92.71 40.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.661 0.267 . . . . 0.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.464 ' HA ' ' HA ' ' A' ' 62' ' ' ILE . 27.6 Cg_exo -62.64 127.73 21.5 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.847 2.364 . . . . 0.0 111.949 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.481 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 9.8 t -120.9 126.98 51.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.882 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.2 m -48.1 117.83 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.605 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.575 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 1.4 p -123.68 110.72 26.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.784 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -146.37 28.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 m -135.55 153.64 51.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 1.7 tt0 -63.05 -30.17 71.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.86 -26.94 33.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.575 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.4 OUTLIER -59.51 -61.84 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.532 HD22 ' HE2' ' A' ' 81' ' ' PHE . 0.9 OUTLIER -62.77 -27.48 69.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 109.924 179.336 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 0.6 OUTLIER -65.14 -34.56 78.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.985 179.226 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -74.35 -27.4 60.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.757 179.248 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -72.56 -33.06 66.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.659 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.532 ' HE2' HD22 ' A' ' 77' ' ' LEU . 7.5 m-85 -76.0 -37.32 58.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.702 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.428 ' HD3' ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -66.09 -37.35 85.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.476 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 87' ' ' ASN . 7.7 mp -78.3 -24.74 46.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.469 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -64.78 -34.11 77.56 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.822 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.69 -36.99 75.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 mt -130.27 90.44 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.728 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 83' ' ' LEU . 4.4 t-20 -168.07 137.82 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.791 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -15.88 58.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.81 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.501 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 3.1 m-20 -67.16 -56.95 7.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.78 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 m 58.36 31.42 20.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 89' ' ' ASP . 8.2 pt-20 -162.89 116.82 1.68 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.13 108.35 8.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.716 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.563 HD11 ' HD3' ' A' ' 20' ' ' LYS . 2.0 mp -109.23 145.42 35.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.729 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.723 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 6.6 mt -143.41 155.42 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.773 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.496 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -112.09 107.23 16.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.7 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.8 t -76.64 125.25 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.326 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 58' ' ' THR . 54.8 m-85 -124.3 92.35 48.26 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.347 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.584 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 83.0 Cg_endo -77.28 126.79 8.71 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.502 2.134 . . . . 0.0 112.381 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.825 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.86 -37.28 35.51 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.659 2.239 . . . . 0.0 112.281 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mt -128.21 8.2 6.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.55 51.74 3.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.387 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.69 -40.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.753 0.311 . . . . 0.0 111.074 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -145.47 114.25 6.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.204 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.497 HG21 ' N ' ' A' ' 18' ' ' ARG . 8.8 p -77.53 144.38 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.497 ' N ' HG21 ' A' ' 17' ' ' VAL . 0.5 OUTLIER -75.78 117.18 17.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.848 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 92' ' ' LEU . 47.7 t -128.19 138.93 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HB2' HD21 ' A' ' 93' ' ' LEU . 0.0 OUTLIER -133.87 113.78 12.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.42 156.47 26.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.007 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.5 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 7.5 m-85 -131.51 82.57 2.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.784 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 30.2 t80 -83.58 99.4 10.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 56.91 26.53 11.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.987 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.38 38.51 3.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.57 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -127.83 109.31 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.703 0.287 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -79.81 110.85 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.525 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 3.2 tpp -111.08 125.75 54.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.661 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 mm -77.81 117.58 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.335 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 3.4 t -149.21 126.57 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.869 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -114.22 127.04 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.019 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -116.44 163.46 16.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -86.25 156.79 56.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.522 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -77.24 57.03 5.71 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.509 2.139 . . . . 0.0 112.579 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.29 27.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.824 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.506 HG13 ' N ' ' A' ' 37' ' ' SER . 1.1 tp -108.68 147.01 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.506 ' N ' HG13 ' A' ' 36' ' ' ILE . 1.7 p -102.26 -179.53 4.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -75.88 -30.22 58.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.22 -64.06 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.69 -22.42 69.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.398 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.548 HD12 HD11 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -69.75 -12.34 61.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.8 -42.01 28.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.537 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.414 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 67.3 m-80 -74.88 -24.7 58.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.532 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -75.31 -39.43 59.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.651 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.69 HG11 ' HE3' ' A' ' 48' ' ' MET . 55.8 t -71.51 -37.59 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.464 ' HA ' ' HD2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -74.5 -23.33 58.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 110.821 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.15 -29.72 43.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.69 ' HE3' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.21 -19.22 23.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.041 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.9 t -105.93 -7.19 18.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.7 t 58.79 92.29 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.464 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 9.3 m-85 -122.35 -170.05 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.681 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' C ' HD21 ' A' ' 53' ' ' ASN . 8.2 m-20 -90.63 12.49 18.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.466 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 60.21 8.53 1.57 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.406 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -143.03 -10.14 0.77 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.716 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.84 149.86 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.28 136.27 40.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.811 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.468 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 11.3 p90 -169.73 146.48 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.835 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.8 m -127.61 122.08 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.539 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 1.8 mtm -99.42 153.97 18.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.724 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.541 ' C ' HG21 ' A' ' 94' ' ' ILE . 0.7 OUTLIER -134.14 118.64 17.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.68 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.749 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 20.9 p-90 -66.69 123.05 19.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.165 0.507 . . . . 0.0 111.218 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.541 HG12 ' N ' ' A' ' 67' ' ' ASP . 0.6 OUTLIER -72.34 151.54 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.319 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.589 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -86.49 -168.73 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.764 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 88' ' ' LYS . 1.3 tm-20 -77.28 -8.49 57.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -116.1 2.52 13.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.069 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.423 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 91.47 57.17 1.57 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.589 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -125.99 93.01 44.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.596 0.236 . . . . 0.0 111.069 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.466 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 20.6 Cg_exo -65.27 93.3 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.69 2.26 . . . . 0.0 111.826 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.468 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 7.8 m -92.71 129.7 38.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.687 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.467 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -47.05 126.49 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.535 -179.535 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.42 ' C ' ' H ' ' A' ' 73' ' ' SER . 9.8 p -118.19 29.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.326 0.584 . . . . 0.0 110.845 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -78.8 30.38 0.2 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.247 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 71' ' ' VAL . 16.4 m -134.99 145.77 48.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.724 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -65.13 -30.88 71.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.421 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 0.3 OUTLIER -82.04 -21.06 37.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.979 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -65.56 -55.62 16.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.605 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.548 HD11 HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -64.72 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.073 179.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.89 -35.68 81.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.311 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.526 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.94 -31.18 68.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.697 179.152 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.617 ' HB3' HD13 ' A' ' 92' ' ' LEU . . . -60.95 -40.32 92.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.344 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -71.17 -34.59 71.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -31.28 72.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.347 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.62 -27.79 34.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.705 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -66.53 -26.96 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -57.01 -45.7 82.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.588 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -91.57 -1.86 57.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.381 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.8 m120 57.96 72.95 0.49 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.412 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 14.7 mttm -103.09 8.95 38.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.307 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -155.37 -38.03 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.581 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.75 18.6 3.84 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.302 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -171.64 104.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.617 HD13 ' HB3' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -74.89 95.42 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' A' ' 20' ' ' LYS . 31.1 mt -96.66 145.4 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.586 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.749 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 10.4 mt -143.02 161.95 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.738 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.5 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 5.0 m-70 -125.67 107.58 10.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.69 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 46.7 t -76.45 123.23 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.375 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.452 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.9 m-85 -119.12 123.95 28.54 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.34 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.35 121.14 7.23 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.614 2.209 . . . . 0.0 112.233 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.468 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.449 ' H2 ' ' HE1' ' A' ' 84' ' ' TYR . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.24 -39.13 93.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.692 2.262 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.43 123.91 17.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.992 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.78 138.75 19.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.665 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.462 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 6.2 t 57.07 24.74 9.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.736 0.303 . . . . 0.0 111.104 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -141.15 82.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 110.963 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.79 129.11 36.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.4 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 35.4 ttp180 -72.07 108.26 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.801 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 92' ' ' LEU . 94.5 t -120.45 135.26 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HD3' HD11 ' A' ' 93' ' ' LEU . 7.6 mttt -118.82 120.41 37.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.527 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.52 155.9 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 1.1 m-85 -141.09 68.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . 28.7 t80 -83.66 110.18 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 54.81 22.01 3.93 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.91 29.19 7.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.361 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -114.24 112.32 22.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.633 0.254 . . . . 0.0 110.807 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.527 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -87.3 109.42 19.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.7 mtt -115.66 146.1 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.771 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mm -88.97 119.21 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.4 t -147.93 129.03 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.4 ' CE1' ' HA ' ' A' ' 18' ' ' ARG . 2.9 m-70 -115.41 151.05 35.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -134.2 -175.72 3.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -113.46 154.28 45.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 15' ' ' SER . 73.0 Cg_endo -75.2 15.73 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.598 2.199 . . . . 0.0 112.589 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.75 -18.48 9.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.0 tt -73.81 158.76 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.3 p -115.74 176.29 5.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -68.35 -25.12 64.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.59 -48.63 80.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.61 -16.14 79.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.352 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -15.76 61.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 110.815 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.5 t -74.77 -50.37 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.651 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -67.76 -21.93 65.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.585 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.89 -52.96 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.745 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.562 HG13 ' HE3' ' A' ' 48' ' ' MET . 90.5 t -64.06 -30.03 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.825 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' NH2' ' HB2' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -75.31 -30.2 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.16 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 17.7 t70 -72.41 -31.54 65.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.133 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.562 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -89.86 -35.56 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.28 -179.718 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -84.68 -13.49 51.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.065 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.89 89.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.013 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -122.22 -172.47 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.5 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.437 ' C ' HD21 ' A' ' 53' ' ' ASN . 12.4 m-20 -92.87 19.28 7.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.627 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.519 HD21 ' N ' ' A' ' 53' ' ' ASN . 0.9 OUTLIER 60.97 10.7 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.342 179.402 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -141.71 -8.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.957 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.86 147.53 14.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.239 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.2 mm? -98.49 137.81 36.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.825 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -172.18 138.42 0.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.986 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 4.1 m -117.91 118.86 33.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.258 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.424 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -99.5 147.64 25.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -127.08 113.66 16.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.309 179.841 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.664 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 24.8 p-90 -56.29 120.5 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.473 0.654 . . . . 0.0 111.729 -179.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.504 HG12 ' HG3' ' A' ' 68' ' ' PRO . 6.0 mt -70.84 134.85 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.005 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.433 ' N ' HG23 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -73.55 176.47 6.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.718 179.805 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -21.73 66.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -100.05 -9.21 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 102.41 57.87 0.79 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.35 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.02 88.06 46.69 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.613 0.244 . . . . 0.0 111.361 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HG3' HG12 ' A' ' 62' ' ' ILE . 32.7 Cg_exo -59.31 98.46 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.531 2.154 . . . . 0.0 112.011 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.445 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 3.0 t -98.2 135.33 40.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -46.81 110.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.447 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.467 ' HB ' ' HD1' ' A' ' 61' ' ' TRP . 9.1 p -103.57 32.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.1 38.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.036 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.41 167.9 21.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -83.76 -33.37 25.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.39 -22.55 41.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.14 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -64.95 -52.89 53.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.912 0.387 . . . . 0.0 110.713 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.13 -25.86 65.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.11 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.95 -36.56 69.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.262 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.97 -28.13 65.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.887 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.473 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -70.6 -37.98 73.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.463 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -66.96 -42.29 85.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -33.81 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.453 ' HA ' ' HB2' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -68.09 -29.97 69.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.404 179.618 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.449 ' HE1' ' H2 ' ' A' ' 11' ' ' GLY . 2.1 t80 -57.75 -36.54 72.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.67 -15.16 33.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.453 ' HB2' ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -66.48 -29.97 70.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -125.06 -152.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.568 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -75.41 -37.31 60.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.794 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.519 ' O ' ' HB2' ' A' ' 90' ' ' SER . 0.5 OUTLIER -165.52 -49.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.76 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.519 ' HB2' ' O ' ' A' ' 89' ' ' ASP . 52.0 m 73.62 -31.25 0.22 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.576 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 89' ' ' ASP . 6.6 mt-10 62.5 111.7 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.897 0.379 . . . . 0.0 111.231 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.55 95.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.455 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . 1.4 mp -105.8 148.97 26.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.664 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 13.5 mt -145.19 149.91 16.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -109.1 107.38 17.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.564 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 33.8 t -78.9 122.17 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.648 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' A' ' 58' ' ' THR . 54.4 m-85 -117.95 119.85 33.24 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.405 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.95 149.17 65.29 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.437 2.091 . . . . 0.0 112.153 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.7 174.68 11.86 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.55 2.166 . . . . 0.0 112.373 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 29' ' ' ILE . 0.3 OUTLIER 58.44 95.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.088 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.26 -140.61 1.28 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.392 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.3 t -146.11 20.45 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.67 0.271 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 32' ' ' PHE . 60.8 tp60 -78.19 -86.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 17' ' ' VAL . 5.3 p -115.15 124.67 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 2.0 mtt180 -72.84 108.27 5.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.774 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.55 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 6.3 t -116.18 136.01 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.429 ' HB2' ' CD2' ' A' ' 93' ' ' LEU . 19.1 mtpt -127.92 117.55 21.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.531 ' HB2' HG23 ' A' ' 96' ' ' VAL . . . -86.81 161.86 18.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.169 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -129.24 83.12 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.57 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 55.3 t80 -83.79 98.98 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.771 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 57.84 27.18 14.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.032 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.74 44.59 3.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.693 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -136.76 113.95 10.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.6 107.01 13.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 mtm -107.83 128.66 54.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' O ' HD11 ' A' ' 13' ' ' LEU . 16.7 mm -79.84 115.41 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 t -147.15 121.9 9.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -109.22 142.49 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' A' ' 16' ' ' GLN . 39.3 m-85 -122.05 134.0 54.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -58.8 163.88 4.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.886 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -77.35 -0.1 10.28 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.395 2.063 . . . . 0.0 112.374 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.21 47.58 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 37' ' ' SER . 0.7 OUTLIER -124.49 144.5 34.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -101.78 159.14 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.726 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.611 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 53.9 t80 -63.44 -22.89 67.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.775 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -51.86 68.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.781 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.53 -14.04 79.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.291 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.406 HD21 HD23 ' A' ' 77' ' ' LEU . 0.4 OUTLIER -66.71 -10.54 47.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.086 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 t -76.04 -46.66 28.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.538 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -74.11 -26.12 60.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.521 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.58 -56.52 8.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.553 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.504 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 53.2 t -61.61 -36.32 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.546 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.457 HH21 ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -63.96 -28.42 69.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.638 179.587 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.457 ' HB2' HH21 ' A' ' 46' ' ' ARG . 23.4 t0 -73.55 -38.27 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.137 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -87.5 -11.43 48.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.222 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -106.61 -15.05 14.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.039 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 t 56.13 85.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -116.07 -172.92 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.655 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.424 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -89.49 17.51 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.874 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.468 HD21 ' N ' ' A' ' 53' ' ' ASN . 0.9 OUTLIER 54.91 24.43 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.172 179.284 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -163.33 0.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.69 168.71 10.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.97 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.422 ' HB3' ' O ' ' A' ' 99' ' ' CYS . 0.2 OUTLIER -115.93 140.07 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.681 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.469 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.3 p90 -169.36 137.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.558 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 2.1 m -112.7 117.44 32.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.366 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.57 166.26 13.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.551 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.492 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 61.7 mttt -146.55 103.89 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.827 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.746 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 12.8 p-90 -62.87 126.77 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 0.0 111.209 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.749 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -67.65 146.84 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.149 -179.457 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -79.24 -162.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.973 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -81.49 -14.77 56.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.043 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.7 0.07 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.749 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 98.63 57.67 0.98 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.525 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.461 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -130.51 90.58 40.5 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.72 0.295 . . . . 0.0 111.13 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.492 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 36.2 Cg_exo -60.74 112.11 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.683 2.255 . . . . 0.0 111.819 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 1.7 t -112.21 145.4 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.936 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.472 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -43.67 118.38 1.38 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.498 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.741 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.7 p -115.99 27.67 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.941 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.75 49.09 1.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -155.04 146.07 22.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.741 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.611 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -66.27 -28.06 68.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.18 -24.67 34.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.288 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.741 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -62.1 -55.3 30.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.013 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.406 HD23 HD21 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -65.71 -29.3 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.054 0.454 . . . . 0.0 110.108 179.626 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.6 -35.31 79.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.344 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -72.55 -27.76 62.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.792 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.02 -26.98 61.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.735 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.14 -43.23 34.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 82' ' ' ARG . 1.6 ttp180 -65.3 -38.23 89.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.718 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mp -78.81 -20.96 48.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.71 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.409 ' HE1' ' N ' ' A' ' 91' ' ' GLU . 60.4 t80 -70.15 -29.62 66.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.015 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.78 -48.87 66.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.543 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 mt -119.7 90.23 3.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.974 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.51 HD21 ' N ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -159.46 133.34 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 -179.143 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.51 ' N ' HD21 ' A' ' 87' ' ' ASN . 14.1 tttp -58.74 -18.06 28.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -95.21 87.66 4.93 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.419 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.03 52.16 1.91 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.84 0.352 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 3.2 tt0 -169.23 114.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.55 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.31 131.28 42.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.511 179.698 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.451 ' C ' HG13 ' A' ' 94' ' ' ILE . 43.8 mt -126.7 145.94 50.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.997 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.746 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 14.2 mt -145.59 160.89 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -122.58 107.23 11.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.608 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.564 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 57.5 t -78.01 126.43 38.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.558 ' HB2' ' O ' ' A' ' 58' ' ' THR . 57.5 m-85 -121.18 122.2 28.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.78 113.62 3.71 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.557 2.171 . . . . 0.0 112.377 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.469 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 14.2 t . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.768 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.33 -166.91 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.484 2.123 . . . . 0.0 112.225 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.1 mt -105.91 96.73 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.28 59.85 4.1 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.703 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.5 t -165.13 -50.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -149.53 103.9 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.768 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 17' ' ' VAL . 8.4 p -72.1 133.09 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -74.52 112.96 11.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.518 HG11 ' N ' ' A' ' 20' ' ' LYS . 57.8 t -121.76 143.93 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.194 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.856 ' HD2' HG13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -128.22 118.73 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.641 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.73 157.52 25.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.451 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -141.93 81.82 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.479 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.654 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 1.5 t80 -83.13 79.61 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.601 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 24' ' ' ARG . 3.4 ttt180 58.73 25.33 13.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.784 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.86 16.99 4.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.556 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.535 ' HB2' ' HB3' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -107.72 97.25 7.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.541 HG21 ' HZ3' ' A' ' 20' ' ' LYS . 1.2 mt -84.1 92.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 mtt -104.02 122.82 46.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.013 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.856 HG13 ' HD2' ' A' ' 20' ' ' LYS . 2.8 mp -78.76 122.01 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -146.94 135.95 22.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.672 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -116.58 130.27 56.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.349 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -122.19 179.05 4.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.74 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.13 147.03 93.29 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.753 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.37 -7.32 18.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.463 2.109 . . . . 0.0 112.283 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m -117.64 31.81 6.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 37' ' ' SER . 0.6 OUTLIER -77.62 150.0 5.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.154 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.447 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -116.74 164.17 15.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.05 -22.83 67.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.6 -37.45 70.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.39 -25.09 44.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.885 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.467 HD12 HD11 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -68.23 -12.1 60.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.319 . . . . 0.0 111.076 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.7 -42.03 43.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.579 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -79.88 -27.03 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.537 179.712 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.47 -45.14 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.491 ' O ' ' HG3' ' A' ' 48' ' ' MET . 48.3 t -66.18 -41.42 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.966 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.599 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -70.32 -21.37 62.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.778 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -80.09 -31.63 39.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.491 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -92.21 -12.1 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.213 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.9 t -116.16 -7.0 11.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.242 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.47 90.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.599 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 5.3 m-85 -114.76 -168.46 1.38 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.455 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.2 OUTLIER -104.89 10.56 34.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.789 179.827 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.476 HD21 ' N ' ' A' ' 53' ' ' ASN . 0.8 OUTLIER 55.94 27.29 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.874 179.338 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -163.0 0.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.436 HE21 ' HB3' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -73.76 167.16 21.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.036 -179.528 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -104.27 143.83 32.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 13.2 p90 -176.03 149.99 0.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.597 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 2.2 m -132.86 116.1 16.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.432 . . . . 0.0 111.467 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.451 ' SD ' HG13 ' A' ' 96' ' ' VAL . 20.1 mtm -101.88 149.73 23.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.711 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.542 ' HB3' ' N ' ' A' ' 70' ' ' THR . 0.0 OUTLIER -135.03 114.16 12.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.679 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 31.7 p-90 -61.5 124.23 20.06 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.401 0.62 . . . . 0.0 111.746 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.571 HG23 ' HA2' ' A' ' 66' ' ' GLY . 1.9 mp -68.15 136.62 26.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.267 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.555 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -75.97 -155.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.676 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -30.33 24.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.249 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.42 15.65 25.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.238 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.571 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 79.16 61.66 2.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.136 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.555 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 11.6 m-20 -130.54 88.21 47.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.57 0.224 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.529 ' HB3' ' HB2' ' A' ' 95' ' ' HIS . 35.1 Cg_exo -57.97 98.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.611 2.207 . . . . 0.0 111.738 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.514 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 17.5 m -100.11 130.14 46.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.542 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -44.91 118.64 1.7 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.613 -179.45 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.785 HG21 HD12 ' A' ' 77' ' ' LEU . 9.4 p -97.18 32.79 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.221 0.534 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.04 49.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.816 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.84 142.06 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.665 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -65.68 -30.68 71.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.063 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.14 -20.0 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.02 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -64.84 -55.13 21.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.785 HD12 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -65.04 -31.43 72.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.407 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -36.23 82.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.33 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 1.7 pt-20 -71.06 -27.62 63.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.121 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.39 80.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.69 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -63.77 -37.06 85.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.671 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 82' ' ' ARG . 11.1 ttt-85 -66.64 -27.33 67.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -80.39 -23.7 40.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.804 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.434 ' HE1' ' N ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -53.87 -61.81 2.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.133 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.51 -19.31 62.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -64.54 -23.27 67.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.788 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -134.91 18.35 3.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.43 83.99 0.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.03 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.4 ' HA ' ' CD2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER 57.18 84.28 0.1 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.06 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.18 3.7 54.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.98 109.39 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.309 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.434 ' N ' ' HE1' ' A' ' 84' ' ' TYR . 0.0 OUTLIER -77.17 93.88 4.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.746 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.479 ' C ' HG13 ' A' ' 94' ' ' ILE . 1.4 mp -100.58 151.86 21.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.679 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 8.7 mt -146.2 151.76 14.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.761 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -111.1 107.2 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.578 179.645 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.654 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 13.1 t -82.71 121.96 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.597 ' HB2' ' O ' ' A' ' 58' ' ' THR . 76.4 m-85 -117.04 136.18 23.25 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.108 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.437 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 87.6 Cg_endo -80.55 156.68 21.76 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.569 2.18 . . . . 0.0 112.084 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 3.6 m . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 CA-C-O 120.206 -0.219 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.607 ' HG2' HD23 ' A' ' 13' ' ' LEU . 56.4 Cg_endo -70.98 -34.61 10.27 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.549 2.166 . . . . 0.0 112.505 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.607 HD23 ' HG2' ' A' ' 12' ' ' PRO . 2.3 pt? -138.0 168.26 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.994 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.3 -149.29 2.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.586 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.573 ' O ' ' HB3' ' A' ' 31' ' ' HIS . 4.2 p -143.61 -105.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.505 0.193 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.6 ' HG3' ' HA ' ' A' ' 33' ' ' GLU . 87.9 mm-40 53.83 -96.42 0.06 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.687 0.279 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 17' ' ' VAL . 6.2 p -111.45 123.86 67.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.849 0.357 . . . . 0.0 110.843 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -73.16 123.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.777 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.472 HG11 ' N ' ' A' ' 20' ' ' LYS . 66.2 t -128.24 142.45 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.472 ' N ' HG11 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -129.07 115.48 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.773 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.6 156.19 26.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.478 ' HH ' HG12 ' A' ' 27' ' ' ILE . 2.3 m-85 -130.52 78.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.75 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.59 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 31.5 t80 -83.42 102.38 12.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.46 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.536 ' HD3' ' HG3' ' A' ' 98' ' ' PRO . 48.2 mtm180 60.42 25.81 15.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.974 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.59 35.16 6.29 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.593 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.53 114.02 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.478 HG12 ' HH ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -80.83 128.17 38.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.083 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 mtm -130.46 130.02 43.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.407 HD12 HG21 ' A' ' 29' ' ' ILE . 39.2 mm -77.75 109.85 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 t -140.25 126.65 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.573 ' HB3' ' O ' ' A' ' 15' ' ' SER . 2.3 m-70 -114.36 151.91 32.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.961 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -130.42 -125.2 0.21 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.991 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.6 ' HA ' ' HG3' ' A' ' 16' ' ' GLN . 1.1 pt-20 -146.92 160.12 41.32 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.796 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 33' ' ' GLU . 72.6 Cg_endo -77.36 31.64 0.43 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.566 2.177 . . . . 0.0 112.617 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.2 33.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.833 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.524 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 2.8 tp -98.67 144.0 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 36' ' ' ILE . 96.7 p -104.82 176.48 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.796 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -71.38 -26.35 62.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.824 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -46.4 90.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.0 -24.07 58.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.654 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.694 HD11 HD13 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -73.61 -10.37 59.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.943 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -40.93 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -78.41 -25.54 46.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.632 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.05 -39.56 60.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.781 HG11 ' HE1' ' A' ' 48' ' ' MET . 42.5 t -70.6 -37.97 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -20.54 57.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.06 -29.83 34.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.781 ' HE1' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.14 -31.71 16.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.993 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t -84.84 -5.84 59.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.7 t 57.16 90.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -121.16 -171.01 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -89.71 14.26 12.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.445 HD21 ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 54.41 27.37 8.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.156 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -165.58 4.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.09 170.4 16.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.232 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.49 138.4 50.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -167.77 150.77 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.536 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -129.0 119.18 23.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.538 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.475 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 12.2 mtm -91.6 168.3 11.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.916 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.496 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -147.6 102.99 3.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.777 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 17.4 p-90 -56.04 120.17 7.04 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.387 0.613 . . . . 0.0 111.632 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.495 ' CG2' ' HA2' ' A' ' 66' ' ' GLY . 5.1 mt -70.1 141.14 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.457 ' N ' HG21 ' A' ' 62' ' ' ILE . 0.4 OUTLIER -81.61 -164.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.82 -20.61 45.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -110.84 17.89 20.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.037 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.495 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 78.85 60.21 2.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.315 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -131.17 86.09 52.2 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.618 0.247 . . . . 0.0 111.58 -179.678 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.496 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.3 Cg_exo -63.74 117.76 4.73 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.615 2.21 . . . . 0.0 111.56 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 71.2 m -118.12 143.72 46.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.021 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.463 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 6.5 p -49.09 107.55 0.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.601 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.564 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.9 p -98.5 25.55 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.716 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.6 m -80.82 59.36 3.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.34 144.25 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.796 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -29.22 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -28.94 37.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.564 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -61.26 -51.48 68.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.698 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.694 HD13 HD11 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -67.82 -27.61 66.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.151 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.17 -35.04 79.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.166 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -73.97 -30.01 62.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.761 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.01 95.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.694 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -70.11 -36.17 74.65 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.505 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -27.93 69.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.274 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.64 -32.88 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.432 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -66.58 -15.88 63.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.852 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.55 -35.53 70.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.624 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.24 -3.03 29.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.519 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.3 m120 57.69 74.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.25 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.25 13.87 28.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.499 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -154.4 -25.11 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.566 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.17 6.2 2.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.431 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -177.23 132.03 0.17 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.93 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.3 120.66 21.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.6 mt -112.03 146.57 37.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.777 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 15.6 mt -146.93 158.57 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.639 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.475 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -118.66 106.7 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.713 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 42.9 t -78.72 121.9 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.914 0.387 . . . . 0.0 110.961 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' O ' ' A' ' 58' ' ' THR . 55.6 m-85 -117.87 130.65 24.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.536 ' HG3' ' HD3' ' A' ' 24' ' ' ARG . 79.5 Cg_endo -78.43 130.92 10.25 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.568 2.179 . . . . 0.0 112.243 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.047 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.35 -32.48 89.53 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.674 2.25 . . . . 0.0 112.213 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.24 -177.52 0.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.73 45.22 0.2 Allowed Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.318 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -164.63 -40.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.671 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.44 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -142.75 158.2 43.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.718 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' ' 32' ' ' PHE . 0.2 OUTLIER -103.53 131.7 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.063 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 4.1 mtm180 -76.98 77.34 3.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.0 0.429 . . . . 0.0 109.938 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 85.7 t -92.98 135.92 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.541 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HB2' ' CD2' ' A' ' 93' ' ' LEU . 14.7 mttm -127.7 113.88 16.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.48 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -82.49 158.28 23.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.307 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.439 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -129.98 73.78 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.49 179.79 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.505 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . 25.8 t80 -83.8 115.73 22.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.846 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 55.93 24.65 7.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.86 46.2 5.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.354 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.439 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 3.6 t0 -140.47 122.78 15.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.749 0.309 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.506 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -83.43 121.54 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.093 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.493 ' HE2' ' HG ' ' A' ' 49' ' ' CYS . 2.0 mpp? -117.72 128.18 54.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.0 mm -78.28 118.66 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.95 119.27 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.464 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 3.4 m-70 -120.71 130.04 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.483 ' O ' HG21 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -135.18 161.43 35.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.7 149.66 40.63 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.96 -23.94 33.92 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.555 2.17 . . . . 0.0 112.391 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.9 57.86 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 tt -133.44 146.51 31.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.76 168.1 10.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -62.39 -30.26 71.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -43.82 78.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.711 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.17 -24.34 76.58 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.426 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.615 HD13 HD21 ' A' ' 77' ' ' LEU . 0.1 OUTLIER -69.28 -10.42 57.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.951 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -45.16 25.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.577 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -74.77 -25.2 58.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.647 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.02 -57.22 4.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.782 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 41' ' ' LEU . 95.0 t -59.69 -30.46 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.61 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -79.49 -26.81 41.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.17 -29.62 61.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -89.98 -36.7 14.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.493 ' HG ' ' HE2' ' A' ' 28' ' ' MET . 0.5 OUTLIER -84.9 -15.9 42.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.01 -179.856 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.38 94.59 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.61 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 44.1 m-85 -115.72 -172.84 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.519 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -88.71 17.77 5.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.654 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.468 HD21 ' N ' ' A' ' 53' ' ' ASN . 0.9 OUTLIER 56.97 22.81 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.909 179.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -160.71 -0.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 146.96 50.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.669 HD21 ' HG ' ' A' ' 99' ' ' CYS . 0.4 OUTLIER -99.78 140.74 33.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.009 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -169.31 134.07 1.46 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.678 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.9 m -111.17 119.05 37.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.464 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.509 ' HG2' ' HA ' ' A' ' 96' ' ' VAL . 17.9 mtm -96.84 160.69 14.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.817 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.49 ' HB3' ' N ' ' A' ' 70' ' ' THR . 0.0 OUTLIER -139.0 111.38 7.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.676 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.664 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 15.5 p-90 -60.01 121.64 12.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.321 0.581 . . . . 0.0 111.775 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.456 ' CG2' ' HA2' ' A' ' 66' ' ' GLY . 5.4 mt -69.86 135.1 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.85 -167.86 1.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -78.13 -19.19 54.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.079 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -107.49 15.4 24.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.456 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 76.94 60.48 2.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.032 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.59 87.63 49.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 N-CA-C 111.536 0.198 . . . . 0.0 111.536 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.474 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 37.3 Cg_exo -60.82 95.3 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.414 2.076 . . . . 0.0 111.817 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.434 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 40.1 t -88.96 124.97 34.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.965 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.49 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -47.79 113.74 0.77 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.549 -179.673 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.458 HG11 ' H ' ' A' ' 61' ' ' TRP . 2.6 p -111.7 122.0 65.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.65 42.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.93 152.3 32.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -63.26 -29.57 70.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.69 -31.55 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.799 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -56.24 24.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.615 HD21 HD13 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -65.68 -31.93 73.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.866 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 1.2 tp10 -61.06 -37.19 81.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.027 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -72.16 -28.31 63.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.729 179.302 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.563 ' HB3' HD23 ' A' ' 92' ' ' LEU . . . -69.32 -27.99 65.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.396 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -80.68 -41.62 23.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.408 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 82' ' ' ARG . 3.5 ttm180 -61.97 -41.43 98.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.624 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' A' ' 87' ' ' ASN . 4.6 tp -76.9 -26.51 54.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.509 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -59.34 -40.96 88.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -59.07 -55.04 40.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.929 0.395 . . . . 0.0 110.289 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.1 tp -99.18 82.69 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.961 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.57 ' HB2' ' O ' ' A' ' 83' ' ' LEU . 13.4 t-20 -156.32 133.67 10.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -56.03 -22.24 26.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.597 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -84.67 -162.69 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.244 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.9 p -173.07 41.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.705 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -165.57 139.59 4.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.985 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.563 HD23 ' HB3' ' A' ' 80' ' ' ALA . 1.0 OUTLIER -90.61 105.17 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.477 ' C ' HG13 ' A' ' 94' ' ' ILE . 82.3 mt -95.12 146.56 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.785 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.664 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 9.8 mt -146.68 157.35 10.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.449 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -118.92 106.91 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.422 179.633 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.509 ' HA ' ' HG2' ' A' ' 59' ' ' MET . 43.4 t -78.4 126.06 38.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.874 0.369 . . . . 0.0 111.151 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 58' ' ' THR . 56.9 m-85 -122.01 119.63 28.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.231 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.19 154.31 66.14 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.43 2.087 . . . . 0.0 112.041 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.669 ' HG ' HD21 ' A' ' 56' ' ' LEU . 10.9 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.152 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.7 -16.31 33.61 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.58 2.187 . . . . 0.0 112.371 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 55.29 39.1 31.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.077 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.3 142.92 15.63 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m 59.94 14.74 4.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.719 0.295 . . . . 0.0 111.279 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -153.4 89.5 1.35 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.134 179.833 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.01 132.2 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' HE ' ' HB2' ' A' ' 18' ' ' ARG . 6.9 ttm180 -77.39 110.23 11.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.756 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 46.0 t -121.36 133.06 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.481 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HB2' HD21 ' A' ' 93' ' ' LEU . 0.5 OUTLIER -128.28 112.65 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 179.68 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.47 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -82.07 159.88 23.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.388 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.537 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 14.0 m-85 -130.65 81.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.657 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.597 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 14.1 t80 -83.81 100.41 10.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.756 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' HD2' ' HG3' ' A' ' 98' ' ' PRO . 0.3 OUTLIER 55.21 31.49 16.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.077 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.16 50.54 2.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.606 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -145.64 109.53 4.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.686 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.47 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -77.58 115.42 19.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.321 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.0 mtt -109.6 123.45 49.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -78.57 112.55 16.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.279 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.442 ' O ' HG21 ' A' ' 30' ' ' THR . 7.5 t -149.23 128.69 13.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -113.93 154.71 27.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.044 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.508 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 37.2 m-85 -138.98 -172.05 3.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.764 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.465 ' O ' HG22 ' A' ' 36' ' ' ILE . 1.3 pm0 -106.09 149.83 38.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.679 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.71 -4.97 6.48 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.622 2.214 . . . . 0.0 112.52 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.86 56.38 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 37' ' ' SER . 3.2 tp -123.24 143.98 34.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.465 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -94.53 161.05 14.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.741 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -70.82 -30.45 66.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.53 -42.12 87.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.005 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.4 -15.16 81.75 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -68.78 -9.7 52.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.319 . . . . 0.0 111.001 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.04 -47.55 20.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.61 -25.57 59.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.726 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.61 -53.95 16.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.654 HG11 ' HE1' ' A' ' 48' ' ' MET . 85.4 t -64.33 -34.33 68.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.631 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -72.41 -24.45 61.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.775 179.788 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -78.64 -34.31 46.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.654 ' HE1' HG11 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.7 -24.68 26.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 75.9 m -97.92 -15.91 19.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m 59.78 100.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.441 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 28.6 m-85 -129.9 -165.19 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' HD21 ' A' ' 53' ' ' ASN . 8.2 t70 -101.26 14.37 32.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.808 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.447 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.2 m-80 61.79 8.87 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.44 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -138.23 -1.74 1.9 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.521 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 146.8 52.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.898 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.44 143.47 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.684 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -171.85 150.44 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.971 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.564 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -129.13 115.96 18.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.493 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.412 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -89.05 160.37 17.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.673 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' C ' HG22 ' A' ' 94' ' ' ILE . 13.5 mttt -138.9 102.91 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.786 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.672 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 9.2 p-90 -63.37 126.85 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.252 0.549 . . . . 0.0 111.512 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.632 HG13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -68.11 140.54 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.737 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.501 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.9 OUTLIER -75.44 -149.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.002 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.09 -35.85 36.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.01 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.22 13.82 33.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.118 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.57 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 86.64 61.22 1.63 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.699 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.501 ' H ' ' H ' ' A' ' 63' ' ' ASP . 2.7 m-20 -124.07 89.69 51.49 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.7 0.286 . . . . 0.0 110.893 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.632 ' HG3' HG13 ' A' ' 62' ' ' ILE . 36.5 Cg_exo -57.97 115.37 2.48 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.705 2.27 . . . . 0.0 111.814 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.3 t -117.75 139.15 51.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.461 ' OG1' ' HE2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -56.74 109.22 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.373 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.3 p -105.73 104.84 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 p -132.06 38.43 3.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -146.38 144.25 29.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.421 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -63.4 -28.05 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.421 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 2.9 tt -82.26 -28.81 31.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -60.8 -48.22 82.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 41' ' ' LEU . 1.8 tp -69.18 -32.62 72.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.225 179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -38.8 92.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.296 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.02 -28.05 64.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.058 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 84' ' ' TYR . . . -64.72 -36.97 86.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.539 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -69.82 -43.11 72.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.626 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -63.11 -35.54 80.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.813 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 87' ' ' ASN . 1.5 tp -82.14 -23.55 35.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.489 ' HB3' ' O ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -81.86 -26.61 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.683 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -46.23 80.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.28 65.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 83' ' ' LEU . 1.6 t-20 -136.17 -152.62 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.77 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.16 -34.27 3.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.753 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 1.9 m-20 -62.34 -41.41 98.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 m 58.82 36.1 24.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 89' ' ' ASP . 10.0 pt-20 -166.8 132.06 2.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.502 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -76.94 113.3 14.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.46 ' C ' HG13 ' A' ' 94' ' ' ILE . 65.4 mt -108.87 145.64 35.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.973 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.672 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 12.4 mt -146.95 158.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.477 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.537 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 4.0 m-70 -118.69 106.9 13.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.74 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 67.8 t -77.06 124.34 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.985 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.564 ' HB2' ' O ' ' A' ' 58' ' ' THR . 64.7 m-85 -117.92 124.63 28.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.482 ' HG3' ' HD2' ' A' ' 24' ' ' ARG . 38.3 Cg_endo -65.7 146.35 83.72 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.517 2.145 . . . . 0.0 112.223 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.418 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.154 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.2 167.38 11.02 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.568 2.179 . . . . 0.0 112.268 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mt 54.82 -159.41 0.18 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.023 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.1 -23.4 0.53 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.228 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 p -150.4 17.44 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.699 0.285 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -169.33 90.1 0.21 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.007 0.432 . . . . 0.0 111.187 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 18' ' ' ARG . 11.0 p -73.11 141.65 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' N ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -76.52 107.18 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.896 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 20' ' ' LYS . 91.8 t -125.44 140.68 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.817 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' HB3' HG21 ' A' ' 27' ' ' ILE . 6.0 mtpt -130.23 120.27 24.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.819 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -82.11 164.49 21.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.28 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 0.7 OUTLIER -139.52 76.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.632 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.581 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 25.3 t80 -83.74 114.28 21.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 2.9 ptt85 53.8 12.82 0.45 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.709 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.89 41.96 1.75 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.642 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -136.74 122.47 19.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 110.798 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.52 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -82.23 127.69 39.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.445 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 1.7 mpp? -122.0 131.21 53.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.759 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.7 mm -83.24 112.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 t -147.23 132.76 18.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -118.16 134.5 54.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 31.3 m-85 -118.54 172.25 7.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.73 155.5 75.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.692 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.59 -12.25 27.32 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.516 2.144 . . . . 0.0 112.383 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 p -123.68 70.92 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -124.92 147.35 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.68 163.55 13.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -63.63 -25.06 68.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.83 -58.47 7.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.78 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.13 -27.75 73.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.419 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -15.35 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.754 0.312 . . . . 0.0 110.765 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.25 -54.79 9.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.556 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.436 ' HB3' ' NH2' ' A' ' 46' ' ' ARG . 35.0 m-80 -66.01 -23.97 66.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.496 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.16 -57.04 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.48 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.516 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 89.9 t -62.33 -28.0 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.615 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' NH2' ' HB3' ' A' ' 43' ' ' ASN . 3.2 ttp180 -71.73 -34.53 69.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.837 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -32.73 67.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.91 -20.17 29.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.154 -179.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -97.87 -9.98 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.7 t 56.76 86.05 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -119.55 -174.44 2.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.662 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -89.69 12.58 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.696 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.46 HD21 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 61.84 9.65 3.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.255 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -139.24 -7.69 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.71 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.11 153.55 33.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.593 ' HB3' ' HB3' ' A' ' 99' ' ' CYS . 0.2 OUTLIER -103.92 140.77 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -168.29 144.71 3.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -122.9 118.02 26.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.737 -179.623 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.5 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 39.8 mtm -89.2 167.99 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.719 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 2.8 mttm -148.62 102.81 3.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.729 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.686 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 21.6 p-90 -54.32 117.5 3.34 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.455 0.645 . . . . 0.0 111.405 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.679 HG12 ' HG3' ' A' ' 68' ' ' PRO . 10.3 mt -71.32 134.56 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.302 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.15 -162.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -39.84 50.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.252 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -92.12 13.81 17.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.252 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.513 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 82.85 63.82 1.72 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.308 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.82 81.77 66.31 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.564 0.221 . . . . 0.0 111.488 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.679 ' HG3' HG12 ' A' ' 62' ' ' ILE . 38.2 Cg_exo -59.87 115.75 2.83 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.549 2.166 . . . . 0.0 111.745 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 65.9 m -117.26 143.24 46.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.044 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -53.55 121.27 7.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.374 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.523 HG21 HD12 ' A' ' 77' ' ' LEU . 11.0 p -105.59 41.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.412 0.625 . . . . 0.0 111.096 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.0 p -81.34 30.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.897 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.6 138.01 25.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.676 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -62.3 -32.22 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.468 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 0.6 OUTLIER -72.17 -28.92 63.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.952 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.51 -45.89 88.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.002 0.429 . . . . 0.0 110.4 179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.523 HD12 HG21 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -69.08 -28.22 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.036 179.418 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -38.42 74.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.417 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.497 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.6 -27.46 65.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.195 0.522 . . . . 0.0 109.975 179.45 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.497 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -68.63 -46.15 69.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.887 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -58.79 -41.68 87.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.617 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 82' ' ' ARG . 1.5 mtm-85 -65.81 -29.19 69.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.91 -34.14 77.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -53.38 -49.65 66.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.992 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -94.93 38.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -157.23 25.46 0.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.01 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -166.34 32.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 mttt 56.11 79.36 0.17 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.998 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 49.92 72.82 0.29 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.39 87.92 7.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.775 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.36 122.9 6.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.949 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.7 99.8 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.324 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.522 ' HB2' ' HB ' ' A' ' 62' ' ' ILE . 74.0 mt -104.85 154.56 19.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.686 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 7.7 mt -147.24 156.94 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.406 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.5 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -118.93 106.68 12.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.613 179.762 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.564 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.7 t -78.61 123.47 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 58' ' ' THR . 53.1 m-85 -119.45 129.59 25.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.93 114.64 3.97 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . 0.593 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 3.4 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.524 ' H2 ' ' HD3' ' A' ' 12' ' ' PRO . . . . . . . . 0 N--CA 1.49 2.244 0 CA-C-O 120.202 -0.221 . . . . 0.0 112.596 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HD3' ' H2 ' ' A' ' 11' ' ' GLY . 33.7 Cg_exo -59.91 -39.98 66.67 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.667 2.244 . . . . 0.0 112.382 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 tt 56.08 84.23 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.967 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.55 -63.27 4.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.452 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -146.94 20.39 1.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -64.19 111.73 2.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 84' ' ' TYR . 3.4 p -72.22 129.01 35.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.187 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.78 117.78 17.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.745 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 20' ' ' LYS . 40.0 t -124.95 141.36 45.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' N ' HG13 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -127.63 119.98 27.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.739 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.89 142.82 32.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.032 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.569 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 6.0 m-85 -121.51 75.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.312 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 1.1 t80 -83.35 113.69 20.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.364 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.16 21.04 4.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.249 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.83 44.13 3.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.575 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.58 122.17 16.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 0.0 110.575 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.427 HD11 ' N ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -73.85 142.52 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.426 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -136.48 135.0 38.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.692 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.4 mm -83.2 110.8 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -148.54 127.29 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -117.97 149.7 40.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.443 ' HE1' ' HG3' ' A' ' 44' ' ' GLU . 97.6 m-85 -135.07 164.63 27.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -90.31 151.79 44.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.672 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.05 -25.63 13.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.637 2.225 . . . . 0.0 112.627 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.23 57.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.01 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 37' ' ' SER . 5.2 tp -117.13 147.95 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.037 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.652 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -107.65 160.7 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.48 -33.32 75.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.652 ' HG2' ' HB2' ' A' ' 37' ' ' SER . 1.2 pt-20 -56.46 -51.33 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.54 -20.63 78.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.366 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.88 -16.99 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.352 . . . . 0.0 110.711 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -81.18 -44.02 18.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.666 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -69.12 -27.08 65.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.333 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG3' ' HE1' ' A' ' 32' ' ' PHE . 13.2 mm-40 -75.47 -38.63 59.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.611 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.501 HG13 ' HE2' ' A' ' 48' ' ' MET . 27.9 t -71.04 -40.85 76.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.456 ' HA ' ' HD2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -72.9 -22.47 60.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.91 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -76.49 -41.49 46.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.048 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.501 ' HE2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -79.08 -29.58 43.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.002 -179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.5 t -86.67 -6.18 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.98 88.58 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.456 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 6.3 m-85 -119.35 -168.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.678 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.436 ' C ' HD21 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -85.63 14.89 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.423 . . . . 0.0 110.841 179.73 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.436 HD21 ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 54.95 21.42 3.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.18 179.363 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -163.51 0.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.812 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.77 159.82 24.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 -179.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.454 HD11 ' N ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -105.5 140.35 38.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.808 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.576 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 9.4 p90 -169.1 137.45 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 18.8 m -113.8 122.95 48.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.355 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.436 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -97.43 165.14 12.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.615 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.495 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -142.6 110.08 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.589 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.695 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 14.8 p-90 -59.32 124.05 18.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.317 0.579 . . . . 0.0 111.708 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.452 HG12 ' HG3' ' A' ' 68' ' ' PRO . 12.8 mt -68.01 131.72 33.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.631 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -70.55 -160.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' HG2' HD22 ' A' ' 87' ' ' ASN . 1.2 mt-10 -84.78 -15.98 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.982 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -115.7 19.04 15.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.183 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.45 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 77.41 59.57 3.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.308 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.631 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 7.3 m-20 -130.44 82.2 65.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.573 0.225 . . . . 0.0 111.023 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HB3' ' HB2' ' A' ' 95' ' ' HIS . 53.1 Cg_exo -55.46 97.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.508 2.138 . . . . 0.0 111.847 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.415 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 44.6 t -94.89 133.97 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.747 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.38 110.12 0.16 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.626 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.596 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.2 p -101.33 29.11 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 88.6 p -82.12 55.86 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.857 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.63 154.69 24.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.806 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -42.49 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -18.0 60.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.596 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 1.1 tp10 -65.41 -49.94 67.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tp -69.35 -31.1 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.122 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -38.52 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.141 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.31 -29.82 65.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.701 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.577 ' HB2' HD23 ' A' ' 92' ' ' LEU . . . -71.52 -30.6 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.863 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.424 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 2.0 m-85 -72.36 -49.81 31.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.738 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -61.08 -40.99 95.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.751 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.7 tp -71.99 -23.99 61.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.424 ' HB3' ' O ' ' A' ' 81' ' ' PHE . 28.4 t80 -66.58 -26.01 66.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.719 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.54 -45.77 91.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.96 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.94 94.46 4.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.409 HD22 ' HG2' ' A' ' 64' ' ' GLU . 2.5 t30 -171.78 137.42 1.0 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -22.38 62.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.967 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 61.0 m-20 -61.16 -49.77 75.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m 56.88 29.7 16.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 89' ' ' ASP . 11.2 pt-20 -167.84 135.96 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.577 HD23 ' HB2' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -82.53 117.65 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.517 ' C ' HG13 ' A' ' 94' ' ' ILE . 94.6 mt -113.75 141.52 47.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.509 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.695 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 3.2 mt -142.91 159.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.628 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.569 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -118.42 107.03 13.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.851 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.561 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 42.1 t -78.0 122.09 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.981 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 58' ' ' THR . 38.8 m-85 -123.63 113.99 28.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.576 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 38.1 Cg_exo -56.97 166.48 3.96 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.376 2.051 . . . . 0.0 112.23 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.87 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.836 0.35 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -72.03 134.5 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -73.04 116.38 13.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 92' ' ' LEU . 29.2 t -123.07 127.94 74.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 117.08 29.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.574 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.7 161.91 19.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 2.7 m-85 -141.13 81.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.628 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 26.6 t80 -90.97 111.07 22.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.686 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 57.0 21.12 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.7 49.14 2.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.588 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 30.8 t70 -142.27 120.48 12.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.773 0.32 . . . . 0.0 110.778 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -84.01 130.78 35.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.29 136.44 52.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.4 mm -85.69 101.19 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.197 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 t -134.49 128.64 33.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -117.63 140.18 50.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.023 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -120.75 158.86 26.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.764 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.611 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -71.36 157.56 89.8 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.53 -18.0 61.42 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.4 2.067 . . . . 0.0 112.216 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -111.58 42.8 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.611 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 1.2 tp -97.38 146.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.503 ' N ' HG13 ' A' ' 36' ' ' ILE . 60.3 p -109.77 171.16 7.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.577 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -74.66 -26.98 60.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -43.72 98.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.97 -18.44 65.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -70.7 -14.71 62.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.44 -40.69 29.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.748 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 1.2 m120 -76.51 -23.61 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.52 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -40.04 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.727 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.619 HG13 ' HE3' ' A' ' 48' ' ' MET . 62.5 t -69.46 -37.62 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.456 HH11 ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -76.64 -22.07 54.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.851 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 1.5 t0 -76.13 -43.23 44.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.842 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.619 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -74.37 -32.96 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.23 -10.26 50.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m 57.33 89.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -116.62 -168.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.761 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.36 13.69 11.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m120 55.7 25.4 8.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.144 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -165.08 -0.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.8 152.96 44.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.951 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.31 143.29 28.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.692 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.524 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 10.3 p90 -168.65 152.03 5.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -127.43 114.75 17.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.388 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.513 ' HG2' ' HA ' ' A' ' 96' ' ' VAL . 50.0 mtm -90.65 164.5 14.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.289 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.56 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 4.6 mttt -146.37 105.31 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.68 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.676 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 10.3 p-90 -63.05 124.23 20.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.323 0.582 . . . . 0.0 111.163 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.659 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -68.13 147.4 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.041 -179.53 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -80.93 -157.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' H ' ' HB3' ' A' ' 63' ' ' ASP . 15.5 pt-20 -83.47 -21.37 32.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -106.83 4.55 27.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.052 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.659 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 91.91 59.85 1.3 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 44.9 m-20 -130.25 92.75 35.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.585 0.231 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.56 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.1 Cg_exo -64.24 109.06 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.734 2.29 . . . . 0.0 111.669 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.8 t -115.43 148.98 38.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.145 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.14 121.01 3.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.45 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.77 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 5.4 p -107.57 20.71 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.113 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 t -80.51 59.26 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.681 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 14.0 t -160.4 143.3 13.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.765 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -36.1 81.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.91 -17.87 49.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.77 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.4 OUTLIER -66.17 -56.22 12.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.84 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tp -68.79 -29.02 67.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.991 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -37.81 87.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.077 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.23 -28.64 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.764 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.21 68.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.388 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.1 -37.09 84.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.305 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -72.26 -29.49 63.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.502 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.628 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.824 0.345 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -72.13 102.14 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.678 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.493 ' C ' HG13 ' A' ' 94' ' ' ILE . 1.5 mp -107.78 144.84 34.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.676 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 8.5 mt -143.7 154.98 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.657 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.412 ' CD2' HD12 ' A' ' 62' ' ' ILE . 3.7 m-70 -114.35 107.44 15.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.2 t -78.19 124.26 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 58' ' ' THR . 71.8 m-85 -118.85 131.46 24.31 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.048 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.54 115.24 4.21 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.506 2.138 . . . . 0.0 112.344 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.524 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 31' ' ' HIS . 39.0 mt-30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.774 0.321 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -76.67 139.95 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.028 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 18' ' ' ARG . 16.0 ttp-105 -76.18 111.82 12.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.772 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.489 HG22 ' HB3' ' A' ' 92' ' ' LEU . 78.3 t -121.11 129.42 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HB2' ' HG ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -114.48 115.71 27.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.674 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.63 158.24 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.8 OUTLIER -144.26 73.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.547 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 30.7 t80 -83.54 107.03 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.39 22.95 6.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.5 32.98 5.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -119.68 113.84 21.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 110.722 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -84.18 105.8 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.192 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.57 129.74 55.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -78.61 119.29 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.055 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.2 t -148.78 130.67 15.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.037 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 16' ' ' GLN . 3.1 m-70 -116.85 135.75 53.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.412 ' HD2' HG21 ' A' ' 19' ' ' VAL . 67.7 m-85 -117.1 166.76 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -97.47 155.29 37.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -77.94 33.71 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.545 2.163 . . . . 0.0 112.624 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.27 11.53 1.53 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.495 HG22 ' O ' ' A' ' 33' ' ' GLU . 16.0 tt -104.51 143.68 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 p -90.38 177.87 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.423 ' CD1' HD13 ' A' ' 77' ' ' LEU . 72.5 t80 -76.02 -28.01 57.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.29 -45.39 88.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.716 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.7 -24.92 71.11 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.207 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -67.89 -14.31 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.59 -36.53 37.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.275 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -79.18 -24.89 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.347 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -73.89 -40.69 63.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.746 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.476 HG21 ' CE ' ' A' ' 59' ' ' MET . 72.8 t -69.46 -39.68 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.69 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -76.33 -19.36 58.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.829 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -78.4 -34.13 48.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.738 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.35 -20.83 24.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.966 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 t -100.79 -4.11 28.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.1 m 57.24 89.51 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.69 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 3.1 m-85 -117.99 -170.75 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.649 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 20.1 m-20 -91.58 10.98 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.618 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.2 m120 63.72 0.72 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.755 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -142.61 2.61 1.42 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.882 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.52 152.3 45.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.823 0.344 . . . . 0.0 110.979 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.82 140.89 33.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.515 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 6.9 p90 -168.64 130.24 1.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.807 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 17.1 m -104.1 119.0 38.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 0.0 111.47 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.476 ' CE ' HG21 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -94.78 167.91 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.75 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.508 ' HG2' ' N ' ' A' ' 70' ' ' THR . 17.0 mttt -145.22 102.77 3.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.786 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.74 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 10.6 p-90 -60.98 122.25 14.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.159 0.504 . . . . 0.0 111.504 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.609 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -68.12 146.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.964 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.623 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.6 OUTLIER -81.31 -168.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.894 -179.841 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -77.61 -10.06 59.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.01 -0.69 12.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.788 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.609 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 95.35 55.94 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.383 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.623 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 22.9 m-20 -128.33 91.39 44.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.644 0.259 . . . . 0.0 111.163 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.476 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 38.1 Cg_exo -60.85 117.29 4.04 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.783 2.322 . . . . 0.0 111.637 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -114.59 137.91 51.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.776 0.322 . . . . 0.0 111.143 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.508 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 3.9 m -54.71 117.25 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.427 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.696 HG23 ' HB3' ' A' ' 76' ' ' GLU . 3.2 p -118.47 118.12 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 p -151.52 38.01 0.61 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.75 160.77 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -72.48 -33.25 66.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.02 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.36 -24.79 34.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.194 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.696 ' HB3' HG23 ' A' ' 71' ' ' VAL . 15.9 mm-40 -61.87 -59.78 4.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -65.2 -28.33 69.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.243 179.459 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.527 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 2.7 tt0 -66.7 -34.47 77.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.333 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -73.19 -28.45 62.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.717 179.393 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -69.66 -37.76 76.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.864 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.476 ' HA ' HD11 ' A' ' 92' ' ' LEU . 4.5 m-85 -66.18 -45.84 79.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -35.18 73.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.732 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.886 0.374 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.489 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.3 92.76 1.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.826 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.542 ' C ' HG13 ' A' ' 94' ' ' ILE . 3.3 mp -106.01 149.13 26.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.74 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 4.5 mt -145.36 152.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' MET . 4.4 m-70 -110.85 107.07 16.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.521 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 46.7 t -79.44 120.9 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.998 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 58' ' ' THR . 60.0 m-85 -116.52 122.49 31.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.34 117.72 4.94 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.53 2.153 . . . . 0.0 112.386 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.515 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 4.8 t . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.18 -0.914 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 9.6 pt20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.925 0.393 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.425 HG21 HD13 ' A' ' 92' ' ' LEU . 2.8 p -72.91 132.3 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.144 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 3.2 ttm180 -71.78 116.71 12.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.63 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 92' ' ' LEU . 85.6 t -128.83 142.47 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 116.72 18.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.691 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.05 163.56 19.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.261 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 2.0 m-85 -142.44 74.28 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.98 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 22.7 t80 -83.86 109.5 17.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.671 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 55.92 26.89 10.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 38.91 6.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.643 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.3 m-20 -129.62 119.41 23.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.335 . . . . 0.0 110.785 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -82.18 130.36 35.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.251 -179.889 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -127.49 123.6 36.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mm -79.25 105.71 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 t -138.42 136.28 36.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 16' ' ' GLN . 2.4 m-70 -118.88 135.68 54.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -120.39 178.92 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.62 150.42 69.85 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.739 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.27 -9.27 25.37 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.464 2.109 . . . . 0.0 112.401 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.11 47.04 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.8 tt -104.71 149.35 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.7 m -100.32 167.18 10.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -70.48 -27.48 64.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.765 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.9 -41.95 88.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.52 -21.45 58.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.598 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -68.26 -11.53 59.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.81 0.338 . . . . 0.0 111.029 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.4 t -81.78 -43.39 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.799 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -71.6 -25.63 62.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.512 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.98 -43.6 53.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.787 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.481 HG11 ' SD ' ' A' ' 59' ' ' MET . 56.8 t -67.65 -40.74 84.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -70.64 -25.06 62.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.789 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -70.24 -49.27 51.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -28.4 60.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t -88.56 -9.08 53.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.974 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 t 59.39 95.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.012 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.525 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 12.4 m-85 -131.14 -179.59 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.69 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.67 14.32 13.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m120 59.37 13.18 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.202 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -141.29 -12.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 158.55 6.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.17 139.41 39.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.606 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 6.2 p90 -169.04 139.19 2.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -113.56 114.17 26.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.472 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.518 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 9.5 mtm -100.67 138.12 38.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.55 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.513 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -123.77 116.56 23.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 -179.788 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.732 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 11.4 p-90 -57.75 122.85 13.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.397 0.618 . . . . 0.0 111.765 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' ' 93' ' ' LEU . 6.8 mt -71.36 133.63 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.213 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.48 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -76.43 178.95 6.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.66 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.86 -31.49 72.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.772 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -92.25 -2.17 56.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 92.44 61.8 1.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.171 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.48 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -130.8 88.45 46.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.622 0.249 . . . . 0.0 111.155 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.513 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 32.0 Cg_exo -58.73 95.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.49 2.127 . . . . 0.0 111.715 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.498 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 12.5 m -96.85 134.15 40.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.424 HG23 ' HD3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -46.3 109.87 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.486 -179.494 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.869 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.2 p -94.14 26.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.063 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.6 56.9 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.603 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 13.4 t -162.15 142.9 10.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.577 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -63.61 -32.3 73.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.85 -21.66 37.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.197 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.869 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 3.2 tp10 -64.28 -47.66 78.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.477 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.412 HD12 HG21 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -70.44 -33.09 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.342 179.533 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -40.34 93.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.448 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.536 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -66.68 -32.27 73.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.178 179.574 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.536 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -62.74 -41.21 99.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.457 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.34 -38.78 90.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.175 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -68.11 -21.59 64.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.51 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.204 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.926 0.393 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -71.98 99.95 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.489 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . 1.6 mp -109.43 149.54 29.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.526 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.732 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 34.0 mt -146.3 155.51 12.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.518 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -113.1 107.26 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.783 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 58.6 t -78.62 116.41 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.956 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.4 m-85 -113.9 117.54 43.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.127 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.25 107.98 2.25 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.427 2.085 . . . . 0.0 112.337 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.606 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.807 0.337 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 p -72.57 132.45 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 18' ' ' ARG . 7.0 ttp180 -74.04 119.64 18.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 92' ' ' LEU . 48.4 t -128.09 138.41 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -126.46 117.6 23.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.883 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -81.48 154.19 26.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 4.9 m-85 -130.35 78.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.475 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.532 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 43.9 t80 -83.88 106.87 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.812 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.57 18.41 7.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.33 41.36 3.01 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.731 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -135.48 119.27 17.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.66 0.267 . . . . 0.0 110.799 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.475 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -78.08 128.43 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -124.07 133.2 53.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.73 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.3 mm -81.21 107.57 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -140.88 125.53 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.292 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -118.91 144.92 46.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.612 ' HB3' HG21 ' A' ' 36' ' ' ILE . 33.2 m-85 -123.47 171.04 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.4 153.08 73.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.659 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.2 12.44 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.523 2.148 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.52 31.9 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' A' ' 32' ' ' PHE . 3.5 tt -97.57 149.52 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 m -95.83 160.42 14.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.55 -21.62 66.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -55.52 33.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.952 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.45 -15.83 68.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.585 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -68.82 -17.47 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 110.973 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.6 t -70.51 -48.52 55.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 6.1 t30 -71.02 -24.85 62.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.287 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -41.15 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.696 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 41' ' ' LEU . 86.4 t -71.76 -41.79 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.554 ' NH1' HD22 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -70.85 -17.87 62.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.887 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 16.6 t0 -76.47 -50.97 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -26.2 55.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.266 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.36 -12.47 34.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.71 92.86 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 8.8 m-85 -126.46 -170.79 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.753 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.94 16.71 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.802 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.554 HD22 ' NH1' ' A' ' 46' ' ' ARG . 4.7 m120 55.1 23.46 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.151 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.84 -3.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.98 158.71 24.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.009 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.03 139.2 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.077 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.4 p90 -169.87 153.63 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.557 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 5.0 m -133.38 115.47 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.016 0.436 . . . . 0.0 111.796 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -90.98 162.23 14.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.318 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 12.2 mttt -144.22 103.77 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.922 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.78 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 8.0 p-90 -59.73 123.34 16.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.227 0.537 . . . . 0.0 111.036 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.587 HG22 ' HB2' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -67.9 146.61 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.091 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.728 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -81.79 -161.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.07 -20.97 47.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.63 15.56 21.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.564 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 81.12 60.68 2.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.529 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.728 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 30.5 m-20 -130.52 89.07 45.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 110.993 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.507 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 31.8 Cg_exo -59.1 110.98 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.633 2.222 . . . . 0.0 111.984 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.5 t -110.69 143.7 40.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.0 p -48.06 103.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.556 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.401 ' HB ' ' HD1' ' A' ' 61' ' ' TRP . 6.1 p -99.82 19.72 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.77 55.44 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.22 162.74 40.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -77.11 -37.87 53.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.52 -24.65 36.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -60.95 3.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.74 -29.29 70.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.087 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -34.29 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.993 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.491 ' HG2' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -72.47 -31.8 65.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.598 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.491 ' N ' ' HG2' ' A' ' 79' ' ' GLU . . . -64.6 -39.98 94.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.716 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -70.89 -30.81 67.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.337 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -66.23 -30.15 70.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.199 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.411 179.625 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.847 0.356 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -94.53 109.85 21.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.747 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.587 ' HB2' HG22 ' A' ' 62' ' ' ILE . 64.0 mt -112.83 148.21 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.811 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.78 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 5.4 mt -144.28 162.04 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.655 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.482 ' N ' HG22 ' A' ' 94' ' ' ILE . 1.4 m-70 -122.24 106.81 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.382 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 24.4 t -79.11 128.38 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.392 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 58' ' ' THR . 79.1 m-85 -121.51 130.24 24.87 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.7 111.02 3.16 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.429 2.086 . . . . 0.0 112.345 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.514 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 1.2 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 25.6 mt-30 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.776 0.322 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.43 139.47 18.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -79.53 115.94 19.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 42.5 t -128.28 134.15 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.237 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -122.71 117.42 25.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.632 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -81.95 157.12 24.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -131.89 78.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.526 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 61.5 t80 -83.56 104.76 13.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.953 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.09 29.23 12.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 53.67 2.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.551 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.48 117.49 5.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.369 . . . . 0.0 110.772 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -82.15 129.88 36.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -127.52 134.1 49.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.79 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mm -78.17 115.32 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.324 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.8 t -149.2 128.33 12.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.026 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -118.7 147.72 43.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.984 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 41.2 m-85 -128.43 -174.11 3.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 36' ' ' ILE . 37.3 mt-10 -101.54 151.25 37.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.37 -7.69 12.89 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.715 2.277 . . . . 0.0 112.202 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 t -131.11 58.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.996 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.7 tt -125.38 144.74 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.13 156.59 19.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.483 ' HD1' HD22 ' A' ' 77' ' ' LEU . 40.4 t80 -67.67 -20.41 65.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -60.64 -41.33 94.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.701 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.35 -24.11 69.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.327 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -11.62 55.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 0.0 110.843 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 t -77.84 -52.58 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -69.46 -29.28 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.96 -54.29 32.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.451 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.535 HG13 ' HE2' ' A' ' 48' ' ' MET . 43.1 t -61.11 -35.56 66.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.401 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 1.1 ttp180 -68.55 -29.61 68.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.712 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.24 -31.93 60.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.319 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.535 ' HE2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.21 -13.01 33.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.084 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 t -105.75 -10.01 16.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.8 m 59.58 93.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.525 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 14.9 m-85 -124.89 -166.16 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.36 14.75 28.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.757 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m120 61.7 7.53 1.97 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.393 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.85 -2.12 1.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.743 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.37 152.98 32.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.99 137.6 40.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.628 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.3 p90 -169.24 146.66 3.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.536 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 6.2 m -127.66 121.81 31.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.125 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.514 ' HG2' HG13 ' A' ' 96' ' ' VAL . 2.6 mtm -103.11 151.93 21.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.769 ' HE2' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -130.17 116.7 18.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.382 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.721 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 15.4 p-90 -59.74 121.47 11.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.339 0.59 . . . . 0.0 111.903 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.511 ' CG2' ' HA2' ' A' ' 66' ' ' GLY . 4.0 mt -67.84 130.54 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.628 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 5.5 t0 -71.3 -159.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.67 -41.07 27.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.957 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -91.66 11.51 24.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.511 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 85.03 64.32 1.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.628 ' HB3' ' HB2' ' A' ' 63' ' ' ASP . 26.1 t0 -130.96 85.38 55.24 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-O 120.608 0.242 . . . . 0.0 111.302 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.496 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 46.7 Cg_exo -56.29 95.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.55 2.167 . . . . 0.0 112.096 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.449 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 10.5 t -85.19 128.1 34.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.653 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.769 HG23 ' HE2' ' A' ' 60' ' ' LYS . 5.1 m -53.53 107.92 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.416 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.647 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.6 p -114.41 118.0 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.908 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.434 ' HA ' ' CE2' ' A' ' 38' ' ' PHE . 11.3 m -149.65 21.47 0.91 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -127.17 153.15 46.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.803 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -66.16 -29.07 69.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.34 -22.69 35.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.647 ' HB3' HG23 ' A' ' 71' ' ' VAL . 5.2 mm-40 -67.27 -55.31 14.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.483 HD22 ' HD1' ' A' ' 38' ' ' PHE . 1.9 tp -65.65 -29.3 69.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.022 0.439 . . . . 0.0 109.999 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.42 -37.59 87.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.987 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -70.09 -29.73 66.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.712 179.147 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.502 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -65.14 -33.06 75.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.593 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -71.62 -42.37 67.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.581 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -37.66 84.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.727 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.127 -179.897 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.868 0.366 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.3 111.15 7.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.417 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.457 ' C ' HG13 ' A' ' 94' ' ' ILE . 47.1 mt -111.45 148.59 32.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.928 0.394 . . . . 0.0 111.263 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.721 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 19.1 mt -146.07 154.75 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.16 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.465 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -113.57 106.8 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.675 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 10.8 t -77.01 122.91 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.815 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.3 m-85 -119.82 120.88 30.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.436 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.52 107.3 2.27 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.561 2.174 . . . . 0.0 112.231 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.628 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 33.9 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 74.5 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.98 130.89 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.991 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 -75.62 122.91 24.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.714 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 87.7 t -130.23 140.12 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.369 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.632 ' HD3' HD11 ' A' ' 93' ' ' LEU . 3.2 mttt -127.31 114.11 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.664 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -88.97 162.72 15.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.373 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.507 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 13.0 m-85 -133.1 76.23 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.506 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 8.3 t80 -83.35 112.43 19.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.661 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 55.4 28.94 12.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.981 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.32 48.34 5.11 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -142.5 119.54 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.733 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -81.55 113.99 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.13 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mtm -112.57 130.62 55.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mm -80.37 115.74 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 t -144.42 127.94 17.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -114.67 137.99 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 50.4 m-85 -119.83 -179.24 3.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.499 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 3.4 pm0 -107.68 151.62 41.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.06 -10.86 16.26 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.535 2.157 . . . . 0.0 112.623 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.08 48.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 111.249 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.499 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 9.4 tt -130.7 150.42 34.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.015 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.52 -174.88 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -78.89 -15.37 58.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.98 -58.66 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.52 -14.38 62.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.403 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -11.47 60.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.755 0.312 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.0 t -78.96 -54.43 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -69.48 -31.5 69.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.3 -54.81 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.649 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.532 HG13 ' HE3' ' A' ' 48' ' ' MET . 76.1 t -63.83 -39.19 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.616 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -61.88 -23.62 66.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.688 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.22 -43.6 27.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.532 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -83.77 -1.24 53.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.6 m -117.58 -19.92 9.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.6 m 58.93 92.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -123.34 -166.01 1.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.65 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 11.2 m-20 -93.34 14.45 18.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.608 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.0 m120 62.25 5.84 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.3 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 7.0 mt-10 -141.7 -5.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.626 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.92 150.46 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.43 138.75 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.01 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.536 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 4.9 p90 -164.92 130.78 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.607 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.585 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 1.3 m -105.14 118.85 37.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.571 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.518 ' HE1' HG21 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -89.79 166.79 13.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.504 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.502 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 56.9 mttt -143.9 103.32 4.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.716 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.562 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 11.5 p-90 -60.95 123.99 19.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.176 0.512 . . . . 0.0 111.353 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.539 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -67.87 144.94 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.903 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.535 ' H ' ' H ' ' A' ' 67' ' ' ASP . 3.5 m-20 -85.5 -172.92 4.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -68.01 -17.41 64.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -111.62 18.88 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.539 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 71.54 54.32 8.84 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.371 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.535 ' H ' ' H ' ' A' ' 63' ' ' ASP . 8.2 t70 -123.51 92.44 48.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 110.993 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HG3' HG13 ' A' ' 62' ' ' ILE . 32.3 Cg_exo -61.82 104.99 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.668 2.246 . . . . 0.0 111.881 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.5 t -111.82 152.26 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.975 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -44.78 125.43 4.97 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.45 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 71' ' ' VAL . 9.2 p -125.16 23.21 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.049 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -80.9 57.27 3.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.29 142.93 13.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.54 -30.86 71.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -23.34 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.88 -54.17 30.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tp -66.34 -25.69 66.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.983 0.42 . . . . 0.0 110.068 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -35.79 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.203 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -73.32 -23.83 60.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.858 179.346 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -74.1 -36.11 64.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.786 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.7 -45.1 72.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.716 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -36.72 81.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.707 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.702 0.287 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -73.28 114.95 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.632 HD11 ' HD3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -117.88 145.65 44.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.63 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.562 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 15.4 mt -144.97 157.04 13.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.694 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 4.4 m-70 -116.71 107.18 14.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.689 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 61.8 t -77.51 123.41 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.585 ' HB2' ' O ' ' A' ' 58' ' ' THR . 69.4 m-85 -118.71 116.44 34.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.536 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 48.2 Cg_endo -68.82 114.99 3.73 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.412 2.075 . . . . 0.0 112.163 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.527 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.517 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 2.2 pt20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.839 0.352 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.64 136.12 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -75.8 116.34 16.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 92' ' ' LEU . 90.7 t -126.04 139.97 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -128.85 108.32 10.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.6 163.06 23.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.492 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -136.32 79.79 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.667 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.54 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 45.8 t80 -83.69 100.4 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 56.77 29.48 16.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.78 37.32 5.28 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.583 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.2 OUTLIER -126.56 111.13 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.497 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -78.32 112.37 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.443 ' SD ' ' HB3' ' A' ' 26' ' ' ASP . 2.9 mpp? -114.98 111.78 21.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 29' ' ' ILE . 4.6 mp -79.86 97.43 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.041 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.2 t -127.98 138.75 52.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.832 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -116.54 145.82 43.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.371 . . . . 0.0 111.102 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.584 ' HB3' HD13 ' A' ' 36' ' ' ILE . 20.1 m-85 -128.41 -167.99 1.85 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.807 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -91.94 155.15 43.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.24 -15.89 52.19 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.436 2.091 . . . . 0.0 112.307 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 m -118.27 41.76 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.807 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.76 HG12 HD12 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -91.48 148.28 4.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.243 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.34 175.14 5.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.777 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -73.57 -34.27 65.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 5.4 pt-20 -56.61 -39.71 74.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.781 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . -84.69 -26.96 36.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.3 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.76 HD12 HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -66.98 -17.3 64.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 0.0 110.759 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -40.29 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.216 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.1 -20.66 59.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.401 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -78.14 -50.63 11.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 41' ' ' LEU . 79.1 t -64.62 -28.59 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.721 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.404 HH11 ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -77.27 -31.23 54.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.847 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -72.4 -29.13 63.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.173 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.428 ' H ' ' HG3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -91.21 -31.64 16.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.177 -179.659 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.7 t -87.36 -13.34 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.143 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.22 82.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -103.16 -173.61 2.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.68 15.55 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.526 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.404 ' ND2' HH11 ' A' ' 46' ' ' ARG . 3.7 m120 58.01 24.02 10.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.951 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -162.74 5.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -76.76 151.41 36.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.068 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 56' ' ' LEU . 2.2 mm? -100.75 144.52 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -174.82 142.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.649 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -122.5 119.92 32.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.296 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.79 167.53 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.555 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.573 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 68.4 mttt -148.02 103.75 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.105 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.813 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 18.9 p-90 -61.99 120.38 10.69 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.33 0.586 . . . . 0.0 111.009 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.599 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -68.34 148.47 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.153 -179.502 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.605 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -81.15 -151.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.951 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' H ' ' HB3' ' A' ' 63' ' ' ASP . 8.6 pt-20 -85.95 -29.86 23.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.223 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.67 4.44 38.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.599 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 95.82 64.52 0.96 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.605 ' H ' ' H ' ' A' ' 63' ' ' ASP . 1.2 t0 -130.65 89.21 44.27 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.551 0.215 . . . . 0.0 111.233 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.573 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.6 Cg_exo -63.13 110.17 1.11 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.681 2.254 . . . . 0.0 111.808 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 42.6 t -110.23 138.66 46.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.496 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -52.44 110.01 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.423 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.776 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 7.4 p -95.7 26.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -79.49 45.41 0.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.1 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.04 143.69 23.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -43.72 98.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -22.47 62.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.776 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 1.2 tp10 -64.5 -61.26 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.468 HD12 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -62.78 -27.21 69.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.965 0.412 . . . . 0.0 110.053 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -33.79 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.999 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.04 -27.42 61.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.7 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.02 87.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.678 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -66.07 -40.65 91.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.497 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -30.86 69.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.263 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.309 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.846 0.355 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.512 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -93.18 99.43 12.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.675 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.532 ' HB3' HG22 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -95.94 140.7 30.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.813 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 13.4 mt -144.43 157.02 14.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.503 ' NE2' HD12 ' A' ' 62' ' ' ILE . 5.9 m-70 -121.61 107.25 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 3.7 t -78.23 126.02 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.643 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' THR . 69.7 m-85 -120.55 122.63 28.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.387 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.47 131.93 19.73 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.527 2.151 . . . . 0.0 112.302 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.863 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.868 0.366 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.93 137.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.212 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -79.77 114.65 18.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 92' ' ' LEU . 58.3 t -124.0 143.76 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.026 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.29 126.09 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.581 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.587 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.14 162.16 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.392 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 0.6 OUTLIER -142.39 71.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.269 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 36.1 t80 -86.25 105.63 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.043 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.658 ' HE ' ' HG3' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 53.04 32.96 13.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.05 44.7 4.68 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.74 109.13 8.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.725 0.297 . . . . 0.0 110.732 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.587 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -87.75 105.19 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.5 mtt -106.82 140.52 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.0 mm -86.13 109.91 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.62 125.58 29.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.823 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -114.36 137.92 51.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -119.65 -177.37 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.1 mt-10 -114.14 154.24 46.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.572 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -78.74 40.04 0.87 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.517 2.145 . . . . 0.0 112.63 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -154.27 17.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 33' ' ' GLU . 3.8 tt -106.93 147.0 12.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.206 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.4 p -96.16 175.77 6.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -79.74 -17.29 53.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.22 -42.92 99.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.064 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.3 -16.32 67.07 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.614 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -67.38 -11.41 57.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.764 0.316 . . . . 0.0 111.071 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.5 t -77.52 -44.63 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 10.9 m-20 -75.02 -23.69 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.635 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.49 -43.08 51.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.672 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 41' ' ' LEU . 48.1 t -67.91 -36.32 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.945 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.589 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -77.56 -23.82 49.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.971 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.92 -37.04 70.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -30.86 31.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.24 -7.17 45.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.11 90.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.589 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 8.5 m-85 -121.97 -177.63 3.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.736 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.509 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.3 OUTLIER -87.77 9.46 21.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.509 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 59.94 8.24 1.37 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.631 179.245 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -140.65 -7.6 1.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.05 170.19 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.264 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.78 142.58 40.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -169.49 158.92 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.547 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -139.59 114.83 9.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.429 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.539 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 12.5 mtm -88.89 162.31 16.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 70' ' ' THR . 1.0 OUTLIER -139.4 104.28 4.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -179.717 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.547 ' N ' HG23 ' A' ' 94' ' ' ILE . 7.9 p-90 -69.27 142.14 54.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.515 HG23 ' HA2' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -81.4 136.0 23.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.511 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -73.87 -156.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.099 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.424 ' H ' ' HB3' ' A' ' 63' ' ' ASP . 10.3 mt-10 -78.12 -24.45 47.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -107.6 14.57 25.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.98 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.515 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 78.78 60.37 2.62 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.344 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.511 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -120.89 91.17 47.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.585 0.231 . . . . 0.0 111.112 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.443 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 28.0 Cg_exo -61.84 88.18 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.582 2.188 . . . . 0.0 111.671 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.49 150.16 24.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.836 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.445 ' N ' ' HD3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -46.27 130.19 10.45 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.588 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.616 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 7.4 p -118.37 33.36 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.518 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.33 49.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.164 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.613 ' HB2' ' HB2' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -153.41 134.53 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.767 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.57 -33.18 69.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -24.5 36.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.616 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -62.44 -56.99 12.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -65.61 -31.56 72.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.331 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -35.16 80.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.374 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.29 -27.02 61.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.852 179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.08 85.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.662 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -64.12 -42.61 96.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.443 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -60.94 -27.98 68.61 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.579 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.669 179.753 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.887 0.375 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -72.35 82.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.447 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 37.7 mt -99.08 98.25 9.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.547 HG23 ' N ' ' A' ' 61' ' ' TRP . 3.0 mt -95.01 147.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.539 ' O ' ' HA ' ' A' ' 59' ' ' MET . 14.7 m-70 -110.36 107.41 17.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.594 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 16.6 t -76.53 126.94 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.795 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.547 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.1 m-85 -117.58 127.63 26.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.658 ' HG3' ' HE ' ' A' ' 24' ' ' ARG . 57.1 Cg_endo -71.18 109.7 2.64 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.464 2.11 . . . . 0.0 112.27 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.981 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.592 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 6.7 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 p -77.84 136.73 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.439 ' HG2' ' HG2' ' A' ' 91' ' ' GLU . 4.4 ttt180 -72.81 106.26 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.673 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 92' ' ' LEU . 82.6 t -116.06 144.83 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.051 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD3' HD11 ' A' ' 93' ' ' LEU . 0.4 OUTLIER -134.18 116.76 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.777 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.51 160.33 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.42 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 2.4 m-85 -140.42 77.0 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.47 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.572 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 16.5 t80 -83.41 102.94 12.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.823 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER 54.42 28.59 9.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.218 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.17 39.32 4.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.19 110.94 12.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.725 0.297 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -84.94 118.54 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 mtt -124.16 124.86 43.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.78 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mm -78.74 109.06 13.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.063 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.0 t -136.8 132.49 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 16' ' ' GLN . 3.7 m-70 -119.08 129.43 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.434 ' HE2' HG11 ' A' ' 19' ' ' VAL . 10.3 m-85 -113.91 143.28 44.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.18 146.14 88.88 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.747 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.62 -14.72 10.73 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.572 2.181 . . . . 0.0 112.553 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.5 m -107.2 59.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 111.19 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 tt -131.14 147.61 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.78 176.47 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -74.5 -29.1 61.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -57.71 -58.04 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.42 -20.43 78.29 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.451 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -64.44 -17.17 63.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.0 -47.62 28.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.469 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -67.81 -22.14 65.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.446 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -73.03 -55.18 6.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.685 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 41' ' ' LEU . 33.1 t -64.91 -21.79 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.436 ' NH1' HD22 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -81.74 -27.9 33.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.742 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.436 ' HB2' HH21 ' A' ' 46' ' ' ARG . 21.8 t70 -74.07 -34.29 63.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.055 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.44 ' CE ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -84.68 -28.13 26.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t -94.1 -15.22 24.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.063 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.8 t 58.38 93.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.411 ' HB2' ' CG ' ' A' ' 46' ' ' ARG . 15.9 m-85 -124.16 -165.51 1.37 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.91 13.0 26.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.436 HD22 ' NH1' ' A' ' 46' ' ' ARG . 4.8 m120 63.29 0.51 0.8 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.585 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.88 0.35 1.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.349 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.95 153.62 33.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.151 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.412 HD13 ' H ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -97.89 140.55 32.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.696 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.544 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 12.2 p90 -171.95 145.99 1.94 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -126.29 117.18 22.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.309 -179.771 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.47 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 10.3 mtm -89.85 163.75 14.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.491 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.519 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 89.6 mttt -143.58 102.97 4.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.77 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.717 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 19.7 p-90 -58.58 121.49 11.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.307 0.575 . . . . 0.0 111.282 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.601 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -68.2 147.65 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.164 -179.676 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.578 ' H ' ' H ' ' A' ' 67' ' ' ASP . 1.5 t0 -83.46 -164.02 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.656 ' HG3' ' HG2' ' A' ' 65' ' ' GLU . 16.2 pt-20 -77.12 -16.97 58.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.656 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 13.7 mm-40 -114.34 17.76 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.601 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 77.38 58.43 3.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.387 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.578 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -127.61 91.72 44.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.652 0.263 . . . . 0.0 111.073 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.519 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 27.8 Cg_exo -62.21 117.3 4.15 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.775 2.317 . . . . 0.0 111.833 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.56 144.22 48.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.772 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.473 ' HA ' ' HG2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -43.96 126.32 4.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.387 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.598 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 5.7 p -123.14 18.43 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.039 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.36 57.9 3.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.99 156.9 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.679 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -36.19 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -22.75 36.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.598 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -59.56 -58.02 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.715 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.69 -25.86 68.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.991 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.08 -33.66 73.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.105 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -22.94 54.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.808 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.2 -32.78 56.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.725 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -75.45 -37.69 60.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.477 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.2 mpp_? -66.91 -39.31 87.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.216 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.244 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.439 ' HG2' ' HG2' ' A' ' 18' ' ' ARG . 2.0 mp0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.79 0.329 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.617 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.24 82.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.512 ' C ' HG13 ' A' ' 94' ' ' ILE . 3.1 mp -91.96 143.56 26.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.39 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.717 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 3.2 mt -141.71 158.69 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -114.24 107.04 15.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.552 179.697 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 15.8 t -78.06 118.11 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 58' ' ' THR . 65.3 m-85 -113.3 123.53 33.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.68 117.82 4.88 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.59 2.193 . . . . 0.0 112.236 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.896 0.379 . . . . 0.0 111.222 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -122.27 131.8 72.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.782 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.472 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -76.59 85.8 3.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.213 179.516 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 92' ' ' LEU . 10.0 t -109.2 150.19 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.635 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -140.47 125.3 18.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.534 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -85.1 167.91 15.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.004 0.431 . . . . 0.0 111.497 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.497 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 23.7 m-85 -141.64 75.95 1.52 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.245 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.609 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 23.2 t80 -83.54 100.93 11.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.057 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 52.86 36.71 22.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.213 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.84 51.28 3.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.96 108.18 4.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.309 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -81.29 116.06 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -113.59 136.71 52.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 mm -80.29 120.83 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t -148.4 124.55 10.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.371 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.534 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 1.9 m-70 -114.95 106.42 14.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 62.5 m-85 -88.49 -176.27 5.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 36' ' ' ILE . 2.1 mt-10 -113.7 151.76 44.91 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.766 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.34 21.19 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.579 2.186 . . . . 0.0 112.586 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.1 11.07 2.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 33' ' ' GLU . 8.8 tt -98.53 140.59 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.33 161.45 22.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 58.1 t80 -70.28 -24.96 63.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.763 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -57.2 -48.29 79.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.658 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.33 -17.33 80.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.113 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -66.72 -14.22 62.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 110.871 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 t -77.92 -40.9 38.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.461 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.413 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 3.3 m120 -74.35 -26.12 59.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.191 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.54 -31.37 57.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.609 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 41' ' ' LEU . 24.1 t -76.65 -42.45 34.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.97 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.503 ' NH1' HD21 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -69.21 -26.13 64.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.946 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.2 -38.3 56.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.435 ' HE2' ' HA ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -82.41 -20.13 37.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 t -102.14 -6.05 23.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.93 92.25 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -128.42 -170.32 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.727 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.87 16.12 8.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.795 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.503 HD21 ' NH1' ' A' ' 46' ' ' ARG . 5.0 m120 55.36 22.08 4.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.194 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -159.67 0.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 150.43 49.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 99' ' ' CYS . 3.1 tp -97.69 138.58 34.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.72 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -168.51 138.29 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -112.62 115.18 28.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.292 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.445 ' H ' ' HG3' ' A' ' 59' ' ' MET . 0.0 OUTLIER -100.06 148.41 24.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.031 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.523 ' HB3' ' C ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -132.7 115.39 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.34 179.751 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.799 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 19.1 p-90 -62.68 120.21 10.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.325 0.583 . . . . 0.0 111.678 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.521 HG13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -68.58 144.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.954 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.657 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -75.77 -156.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.012 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -81.4 -20.25 40.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.025 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -109.11 -2.79 17.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.499 ' C ' HG12 ' A' ' 62' ' ' ILE . . . 102.04 56.21 0.85 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.724 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.657 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 14.3 m-20 -121.41 93.76 48.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.587 0.232 . . . . 0.0 110.845 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.521 ' HG3' HG13 ' A' ' 62' ' ' ILE . 32.6 Cg_exo -61.85 110.09 0.91 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.647 2.231 . . . . 0.0 111.809 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.523 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 67.4 m -106.2 123.05 47.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.453 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 4.2 m -48.58 106.4 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.421 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.68 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.0 p -108.47 105.71 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.798 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.417 ' HA ' ' CE2' ' A' ' 38' ' ' PHE . 65.5 m -139.72 32.44 2.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.012 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 m -137.85 150.86 47.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -33.77 76.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.782 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -25.97 56.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.68 ' HB3' HG23 ' A' ' 71' ' ' VAL . 3.8 mm-40 -61.7 -51.9 66.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.716 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -67.64 -32.98 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.365 179.54 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.7 -36.87 79.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.074 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -72.74 -30.12 63.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.758 179.132 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -66.05 -39.91 90.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.403 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -69.69 -32.23 70.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.271 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.419 ' HD3' HH11 ' A' ' 82' ' ' ARG . 0.6 OUTLIER -71.65 -27.46 63.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.599 179.71 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.705 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.787 0.327 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.503 ' HB3' HG13 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -72.1 128.27 35.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.535 ' C ' HG13 ' A' ' 94' ' ' ILE . 73.5 mt -129.25 141.62 51.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.368 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.799 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 4.2 mt -142.06 157.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.025 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -116.48 107.47 14.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.568 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 27.6 t -78.95 117.19 24.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.011 0.434 . . . . 0.0 110.749 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 58' ' ' THR . 55.1 m-85 -112.38 126.5 28.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.15 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.68 148.59 47.29 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.598 2.199 . . . . 0.0 112.303 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.537 ' HB3' HD23 ' A' ' 56' ' ' LEU . 1.2 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.983 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.7 135.29 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.286 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 18' ' ' ARG . 17.4 mtm180 -80.61 111.17 16.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 92' ' ' LEU . 47.5 t -109.35 134.71 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.62 ' HD3' HD11 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -119.03 116.14 25.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.638 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.59 159.63 25.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.479 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.7 OUTLIER -137.71 74.43 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.538 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -83.72 118.02 23.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.324 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 51.04 25.05 2.1 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.75 42.69 5.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.663 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 7.4 m-20 -135.23 122.11 21.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.734 0.302 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -80.39 137.7 21.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.428 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -133.42 140.26 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.4 mm -89.39 101.45 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.255 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t -136.33 118.92 15.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.976 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.59 151.07 28.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.401 ' HB3' HG21 ' A' ' 36' ' ' ILE . 39.2 m-85 -128.72 160.45 32.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.976 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.672 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 2.8 pm0 -72.28 156.6 90.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.65 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.42 -2.0 8.35 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.409 2.073 . . . . 0.0 112.556 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.2 m -135.47 68.41 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.672 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 3.0 tt -134.34 149.66 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.9 164.55 11.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.801 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -68.73 -15.47 63.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -48.67 70.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.71 -15.35 75.69 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -71.23 -9.8 58.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.909 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.6 t -74.58 -49.09 23.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.669 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -74.31 -26.7 60.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.67 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -66.66 -51.53 55.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.624 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.644 HG13 ' HE3' ' A' ' 48' ' ' MET . 94.2 t -66.33 -34.31 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.617 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -73.4 -21.65 60.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.952 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -78.86 -35.07 44.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.279 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.644 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.04 -20.61 21.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.495 -179.5 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 t -104.6 -17.29 14.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.367 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.1 m 59.42 98.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.617 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 14.5 m-85 -120.76 -169.7 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -87.05 11.45 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m120 56.3 18.41 3.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.355 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.405 ' H ' ' H ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -168.43 0.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.121 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.405 ' H ' ' H ' ' A' ' 54' ' ' GLU . 3.9 pt20 -67.73 179.8 1.31 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.137 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.81 140.69 47.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.6 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 6.9 p90 -169.14 162.32 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.736 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.557 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -147.39 119.76 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 111.715 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.507 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 4.3 mtm -100.05 147.14 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.455 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.496 ' HB3' ' C ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -127.14 111.01 13.5 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.921 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.738 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 42.9 p-90 -59.39 121.3 11.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.262 0.553 . . . . 0.0 111.556 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.598 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -67.84 151.38 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.208 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.619 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -88.67 -159.28 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.037 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -75.74 -31.01 59.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.189 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.52 19.09 20.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.224 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.598 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 78.89 60.52 2.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.515 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.619 ' H ' ' H ' ' A' ' 63' ' ' ASP . 1.8 t0 -128.19 92.71 40.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.661 0.267 . . . . 0.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 62' ' ' ILE . 27.6 Cg_exo -62.64 127.73 21.5 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.847 2.364 . . . . 0.0 111.949 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.496 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 9.8 t -120.9 126.98 51.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.882 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.2 m -48.1 117.83 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.605 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.838 HG23 ' HB3' ' A' ' 76' ' ' GLU . 1.4 p -123.68 110.72 26.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.784 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -146.37 28.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 m -135.55 153.64 51.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 1.7 tt0 -63.05 -30.17 71.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.86 -26.94 33.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.838 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -59.51 -61.84 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -27.48 69.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 109.924 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 0.6 OUTLIER -65.14 -34.56 78.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.985 179.226 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -74.35 -27.4 60.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.757 179.248 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -72.56 -33.06 66.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.659 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -76.0 -37.32 58.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.702 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -66.09 -37.35 85.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.476 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.469 179.601 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.891 0.377 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -76.13 108.35 8.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.716 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.62 HD11 ' HD3' ' A' ' 20' ' ' LYS . 2.0 mp -109.23 145.42 35.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.729 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.738 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 6.6 mt -143.41 155.42 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.773 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.507 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -112.09 107.23 16.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.7 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.8 t -76.64 125.25 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.326 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' A' ' 58' ' ' THR . 54.8 m-85 -124.3 92.35 48.26 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.347 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.6 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 83.0 Cg_endo -77.28 126.79 8.71 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.502 2.134 . . . . 0.0 112.381 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.825 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.756 0.312 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -77.53 144.38 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -75.78 117.18 17.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.848 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 92' ' ' LEU . 47.7 t -128.19 138.93 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -133.87 113.78 12.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -80.42 156.47 26.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.007 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.527 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 7.5 m-85 -131.51 82.57 2.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.784 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 30.2 t80 -83.58 99.4 10.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 56.91 26.53 11.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.987 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.38 38.51 3.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.57 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -127.83 109.31 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.703 0.287 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.454 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -79.81 110.85 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.528 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 3.2 tpp -111.08 125.75 54.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.661 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 mm -77.81 117.58 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.335 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 3.4 t -149.21 126.57 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.869 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -114.22 127.04 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.019 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -116.44 163.46 16.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -86.25 156.79 56.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.522 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -77.24 57.03 5.71 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.509 2.139 . . . . 0.0 112.579 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.29 27.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.824 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.515 HG13 ' N ' ' A' ' 37' ' ' SER . 1.1 tp -108.68 147.01 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.515 ' N ' HG13 ' A' ' 36' ' ' ILE . 1.7 p -102.26 -179.53 4.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -75.88 -30.22 58.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.22 -64.06 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.69 -22.42 69.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.398 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -69.75 -12.34 61.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.8 -42.01 28.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.537 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 67.3 m-80 -74.88 -24.7 58.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.532 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -75.31 -39.43 59.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.651 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.596 HG21 ' SD ' ' A' ' 59' ' ' MET . 55.8 t -71.51 -37.59 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.529 ' NH1' HD21 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -74.5 -23.33 58.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 110.821 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.15 -29.72 43.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.528 ' SD ' ' HG2' ' A' ' 28' ' ' MET . 0.0 OUTLIER -91.21 -19.22 23.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.041 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.9 t -105.93 -7.19 18.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.7 t 58.79 92.29 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.484 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 9.3 m-85 -122.35 -170.05 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.681 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.63 12.49 18.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.529 HD21 ' NH1' ' A' ' 46' ' ' ARG . 5.0 m120 60.21 8.53 1.57 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.406 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -143.03 -10.14 0.77 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.716 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -56.84 149.86 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.28 136.27 40.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.811 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 11.3 p90 -169.73 146.48 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.835 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.8 m -127.61 122.08 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.539 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.596 ' SD ' HG21 ' A' ' 45' ' ' VAL . 1.8 mtm -99.42 153.97 18.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.724 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.496 ' HD3' HG23 ' A' ' 70' ' ' THR . 0.7 OUTLIER -134.14 118.64 17.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.68 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.761 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 20.9 p-90 -66.69 123.05 19.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.165 0.507 . . . . 0.0 111.218 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.563 HG12 ' N ' ' A' ' 67' ' ' ASP . 0.6 OUTLIER -72.34 151.54 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.319 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.632 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -86.49 -168.73 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.764 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -77.28 -8.49 57.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -116.1 2.52 13.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.069 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.411 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 91.47 57.17 1.57 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.632 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -125.99 93.01 44.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.596 0.236 . . . . 0.0 111.069 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.483 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 20.6 Cg_exo -65.27 93.3 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.69 2.26 . . . . 0.0 111.826 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.486 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 7.8 m -92.71 129.7 38.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.687 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.496 HG23 ' HD3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -47.05 126.49 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.535 -179.535 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.595 HG23 ' HB3' ' A' ' 76' ' ' GLU . 9.8 p -118.19 29.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.326 0.584 . . . . 0.0 110.845 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -78.8 30.38 0.2 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.247 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 m -134.99 145.77 48.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.724 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -65.13 -30.88 71.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 0.3 OUTLIER -82.04 -21.06 37.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.979 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.595 ' HB3' HG23 ' A' ' 71' ' ' VAL . 33.4 mm-40 -65.56 -55.62 16.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.605 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.073 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.89 -35.68 81.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.311 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.94 -31.18 68.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.697 179.152 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.718 ' HB1' HD11 ' A' ' 92' ' ' LEU . . . -60.95 -40.32 92.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.344 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -71.17 -34.59 71.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -63.08 -31.28 72.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.347 179.722 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.437 HD13 ' OE2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.705 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.815 0.34 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.718 HD11 ' HB1' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -74.89 95.42 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.543 ' HB2' HG22 ' A' ' 62' ' ' ILE . 31.1 mt -96.66 145.4 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.586 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.761 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 10.4 mt -143.02 161.95 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.738 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 5.0 m-70 -125.67 107.58 10.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.69 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 46.7 t -76.45 123.23 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.375 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.9 m-85 -119.12 123.95 28.54 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.34 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.35 121.14 7.23 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.614 2.209 . . . . 0.0 112.233 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.906 0.384 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.79 129.11 36.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 35.4 ttp180 -72.07 108.26 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.801 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.547 HG22 ' HB3' ' A' ' 92' ' ' LEU . 94.5 t -120.45 135.26 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.724 ' HD3' HD11 ' A' ' 93' ' ' LEU . 7.6 mttt -118.82 120.41 37.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.52 155.9 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 1.1 m-85 -141.09 68.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . 28.7 t80 -83.66 110.18 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 54.81 22.01 3.93 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.91 29.19 7.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.361 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -114.24 112.32 22.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.633 0.254 . . . . 0.0 110.807 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -87.3 109.42 19.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.7 mtt -115.66 146.1 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.771 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mm -88.97 119.21 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.4 t -147.93 129.03 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 18' ' ' ARG . 2.9 m-70 -115.41 151.05 35.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -134.2 -175.72 3.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.5 pt-20 -113.46 154.28 45.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.2 15.73 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.598 2.199 . . . . 0.0 112.589 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.75 -18.48 9.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 33' ' ' GLU . 7.0 tt -73.81 158.76 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.3 p -115.74 176.29 5.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -68.35 -25.12 64.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.59 -48.63 80.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.61 -16.14 79.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.352 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -15.76 61.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 110.815 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.5 t -74.77 -50.37 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.651 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -67.76 -21.93 65.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.585 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.89 -52.96 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.745 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.575 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 90.5 t -64.06 -30.03 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.825 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.424 ' NH2' ' HB2' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -75.31 -30.2 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.16 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.424 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 17.7 t70 -72.41 -31.54 65.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.133 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.575 ' HE3' ' HA ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -89.86 -35.56 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.28 -179.718 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -84.68 -13.49 51.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.065 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.89 89.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.013 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -122.22 -172.47 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.5 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -92.87 19.28 7.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.627 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m120 60.97 10.7 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.342 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -141.71 -8.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.957 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.86 147.53 14.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.239 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -98.49 137.81 36.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -172.18 138.42 0.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.986 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.533 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 4.1 m -117.91 118.86 33.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.258 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -99.5 147.64 25.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -127.08 113.66 16.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.309 179.841 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.676 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 24.8 p-90 -56.29 120.5 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.473 0.654 . . . . 0.0 111.729 -179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.529 HG12 ' HG3' ' A' ' 68' ' ' PRO . 6.0 mt -70.84 134.85 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.005 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.427 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -73.55 176.47 6.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.718 179.805 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -21.73 66.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -100.05 -9.21 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.473 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 102.41 57.87 0.79 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.35 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.427 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -131.02 88.06 46.69 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.613 0.244 . . . . 0.0 111.361 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.529 ' HG3' HG12 ' A' ' 62' ' ' ILE . 32.7 Cg_exo -59.31 98.46 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.531 2.154 . . . . 0.0 112.011 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.463 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 3.0 t -98.2 135.33 40.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -46.81 110.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.447 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.529 HG23 ' HB3' ' A' ' 76' ' ' GLU . 9.1 p -103.57 32.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.1 38.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.036 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.41 167.9 21.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -83.76 -33.37 25.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.39 -22.55 41.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.14 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.529 ' HB3' HG23 ' A' ' 71' ' ' VAL . 19.0 mm-40 -64.95 -52.89 53.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.912 0.387 . . . . 0.0 110.713 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.13 -25.86 65.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.11 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.95 -36.56 69.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.262 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.97 -28.13 65.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.887 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -70.6 -37.98 73.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.463 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -66.96 -42.29 85.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -33.81 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.404 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.897 0.379 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.547 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.55 95.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.724 HD11 ' HD3' ' A' ' 20' ' ' LYS . 1.4 mp -105.8 148.97 26.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.676 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 13.5 mt -145.19 149.91 16.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -109.1 107.38 17.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 33.8 t -78.9 122.17 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.648 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.533 ' HB2' ' O ' ' A' ' 58' ' ' THR . 54.4 m-85 -117.95 119.85 33.24 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.405 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.95 149.17 65.29 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.437 2.091 . . . . 0.0 112.153 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 32' ' ' PHE . 60.8 tp60 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.647 0.261 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.15 124.67 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 2.0 mtt180 -72.84 108.27 5.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.774 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 6.3 t -116.18 136.01 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 93' ' ' LEU . 19.1 mtpt -127.92 117.55 21.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.742 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -86.81 161.86 18.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.169 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -129.24 83.12 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.57 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 55.3 t80 -83.79 98.98 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.771 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 57.84 27.18 14.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.032 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.74 44.59 3.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.693 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -136.76 113.95 10.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.6 107.01 13.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 mtm -107.83 128.66 54.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 mm -79.84 115.41 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 t -147.15 121.9 9.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -109.22 142.49 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.715 ' HB3' HG21 ' A' ' 36' ' ' ILE . 39.3 m-85 -122.05 134.0 54.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 36' ' ' ILE . 12.6 mt-10 -58.8 163.88 4.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.886 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -77.35 -0.1 10.28 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.395 2.063 . . . . 0.0 112.374 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.21 47.58 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.715 HG21 ' HB3' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -124.49 144.5 34.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.478 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -101.78 159.14 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.726 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.632 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 53.9 t80 -63.44 -22.89 67.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.775 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -51.86 68.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.781 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.53 -14.04 79.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.291 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.71 -10.54 47.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.086 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 t -76.04 -46.66 28.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.538 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -74.11 -26.12 60.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.521 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.58 -56.52 8.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.553 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 53.2 t -61.61 -36.32 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.546 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.468 HH21 ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -63.96 -28.42 69.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.638 179.587 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.468 ' HB2' HH21 ' A' ' 46' ' ' ARG . 23.4 t0 -73.55 -38.27 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.137 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.498 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -87.5 -11.43 48.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.222 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -106.61 -15.05 14.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.039 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 t 56.13 85.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -116.07 -172.92 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.655 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.49 17.51 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.415 HD22 ' NH1' ' A' ' 46' ' ' ARG . 4.2 m120 54.91 24.43 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.172 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -163.33 0.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.69 168.71 10.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.97 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' A' ' 99' ' ' CYS . 0.2 OUTLIER -115.93 140.07 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.681 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.51 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.3 p90 -169.36 137.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 2.1 m -112.7 117.44 32.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.366 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.466 ' SD ' HG22 ' A' ' 96' ' ' VAL . 0.9 OUTLIER -90.57 166.26 13.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.551 179.732 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 61.7 mttt -146.55 103.89 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.827 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.761 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 12.8 p-90 -62.87 126.77 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 0.0 111.209 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.752 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -67.65 146.84 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.149 -179.457 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.585 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -79.24 -162.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.973 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -81.49 -14.77 56.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.043 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.7 0.07 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.752 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 98.63 57.67 0.98 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.525 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.585 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -130.51 90.58 40.5 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.72 0.295 . . . . 0.0 111.13 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.506 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 36.2 Cg_exo -60.74 112.11 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.683 2.255 . . . . 0.0 111.819 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 1.7 t -112.21 145.4 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.936 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.483 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -43.67 118.38 1.38 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.498 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.748 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.7 p -115.99 27.67 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.941 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.75 49.09 1.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -155.04 146.07 22.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.741 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.632 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -66.27 -28.06 68.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.18 -24.67 34.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.288 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.748 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -62.1 -55.3 30.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.013 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.71 -29.3 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.054 0.454 . . . . 0.0 110.108 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.6 -35.31 79.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.344 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -72.55 -27.76 62.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.792 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.02 -26.98 61.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.735 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.14 -43.23 34.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 82' ' ' ARG . 1.6 ttp180 -65.3 -38.23 89.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.718 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.71 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 3.2 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.745 0.307 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.31 131.28 42.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.511 179.698 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.472 ' C ' HG13 ' A' ' 94' ' ' ILE . 43.8 mt -126.7 145.94 50.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.997 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.761 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 14.2 mt -145.59 160.89 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.463 ' N ' HG22 ' A' ' 94' ' ' ILE . 3.7 m-70 -122.58 107.23 11.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.608 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.742 HG23 ' HB1' ' A' ' 21' ' ' ALA . 57.5 t -78.01 126.43 38.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 58' ' ' THR . 57.5 m-85 -121.18 122.2 28.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.78 113.62 3.71 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.557 2.171 . . . . 0.0 112.377 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.51 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 14.2 t . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.768 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.804 0.335 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.1 133.09 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -74.52 112.96 11.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 92' ' ' LEU . 57.8 t -121.76 143.93 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.194 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.874 ' HD2' HG13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -128.22 118.73 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.641 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.73 157.52 25.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -141.93 81.82 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.479 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 1.5 t80 -83.13 79.61 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.601 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 24' ' ' ARG . 3.4 ttt180 58.73 25.33 13.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.784 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.86 16.99 4.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.556 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -107.72 97.25 7.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.596 HG22 ' HG2' ' A' ' 20' ' ' LYS . 1.2 mt -84.1 92.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 mtt -104.02 122.82 46.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.013 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.874 HG13 ' HD2' ' A' ' 20' ' ' LYS . 2.8 mp -78.76 122.01 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -146.94 135.95 22.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.672 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -116.58 130.27 56.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.349 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -122.19 179.05 4.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.74 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.13 147.03 93.29 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.753 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.37 -7.32 18.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.463 2.109 . . . . 0.0 112.283 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m -117.64 31.81 6.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 37' ' ' SER . 0.6 OUTLIER -77.62 150.0 5.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.154 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -116.74 164.17 15.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.05 -22.83 67.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.6 -37.45 70.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.39 -25.09 44.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.885 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -12.1 60.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.319 . . . . 0.0 111.076 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.7 -42.03 43.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.579 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -79.88 -27.03 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.537 179.712 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.47 -45.14 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 48' ' ' MET . 48.3 t -66.18 -41.42 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.966 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.63 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -70.32 -21.37 62.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.778 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -80.09 -31.63 39.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -92.21 -12.1 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.213 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.9 t -116.16 -7.0 11.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.242 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.47 90.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.63 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 5.3 m-85 -114.76 -168.46 1.38 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.89 10.56 34.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.789 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.449 HD22 ' NH1' ' A' ' 46' ' ' ARG . 4.2 m120 55.94 27.29 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.874 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -163.0 0.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.76 167.16 21.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.036 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -104.27 143.83 32.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 13.2 p90 -176.03 149.99 0.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.602 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 2.2 m -132.86 116.1 16.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.432 . . . . 0.0 111.467 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.498 ' HG2' HG13 ' A' ' 96' ' ' VAL . 20.1 mtm -101.88 149.73 23.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.711 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.556 ' HB3' ' N ' ' A' ' 70' ' ' THR . 0.0 OUTLIER -135.03 114.16 12.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.691 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 31.7 p-90 -61.5 124.23 20.06 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.401 0.62 . . . . 0.0 111.746 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.529 HG23 ' HA2' ' A' ' 66' ' ' GLY . 1.9 mp -68.15 136.62 26.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.267 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -75.97 -155.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.676 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -30.33 24.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.249 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.42 15.65 25.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.238 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.529 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 79.16 61.66 2.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.136 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 11.6 m-20 -130.54 88.21 47.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.57 0.224 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HB3' ' HB2' ' A' ' 95' ' ' HIS . 35.1 Cg_exo -57.97 98.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.611 2.207 . . . . 0.0 111.738 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.532 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 17.5 m -100.11 130.14 46.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.556 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -44.91 118.64 1.7 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.613 -179.45 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.814 HG21 HD12 ' A' ' 77' ' ' LEU . 9.4 p -97.18 32.79 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.221 0.534 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.04 49.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.816 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.84 142.06 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.665 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -65.68 -30.68 71.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.063 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.14 -20.0 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.02 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.508 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -64.84 -55.13 21.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.814 HD12 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -65.04 -31.43 72.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.407 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -36.23 82.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.33 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 1.7 pt-20 -71.06 -27.62 63.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.121 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.39 80.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.69 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -63.77 -37.06 85.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.671 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 82' ' ' ARG . 11.1 ttt-85 -66.64 -27.33 67.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.804 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 121.002 0.43 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -77.17 93.88 4.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.746 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.496 ' C ' HG13 ' A' ' 94' ' ' ILE . 1.4 mp -100.58 151.86 21.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.691 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 8.7 mt -146.2 151.76 14.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.761 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -111.1 107.2 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.578 179.645 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.663 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 13.1 t -82.71 121.96 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.602 ' HB2' ' O ' ' A' ' 58' ' ' THR . 76.4 m-85 -117.04 136.18 23.25 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.108 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.435 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 87.6 Cg_endo -80.55 156.68 21.76 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.569 2.18 . . . . 0.0 112.084 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 3.6 m . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.609 ' HG3' ' HA ' ' A' ' 33' ' ' GLU . 87.9 mm-40 . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.687 0.279 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -111.45 123.86 67.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.849 0.357 . . . . 0.0 110.843 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -73.16 123.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.777 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 92' ' ' LEU . 66.2 t -128.24 142.45 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -129.07 115.48 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.773 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.6 156.19 26.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 2.3 m-85 -130.52 78.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.75 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 31.5 t80 -83.42 102.38 12.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.46 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.555 ' HD3' ' HG3' ' A' ' 98' ' ' PRO . 48.2 mtm180 60.42 25.81 15.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.974 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.59 35.16 6.29 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.593 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.53 114.02 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.52 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -80.83 128.17 38.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.083 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 mtm -130.46 130.02 43.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mm -77.75 109.85 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 t -140.25 126.65 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -114.36 151.91 32.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.961 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -130.42 -125.2 0.21 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.991 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.609 ' HA ' ' HG3' ' A' ' 16' ' ' GLN . 1.1 pt-20 -146.92 160.12 41.32 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.796 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 33' ' ' GLU . 72.6 Cg_endo -77.36 31.64 0.43 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.566 2.177 . . . . 0.0 112.617 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.2 33.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.833 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.541 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 2.8 tp -98.67 144.0 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 36' ' ' ILE . 96.7 p -104.82 176.48 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.796 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -71.38 -26.35 62.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.824 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -46.4 90.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.0 -24.07 58.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.654 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -10.37 59.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -40.93 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -78.41 -25.54 46.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.632 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.05 -39.56 60.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.523 HG21 ' SD ' ' A' ' 59' ' ' MET . 42.5 t -70.6 -37.97 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -20.54 57.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.06 -29.83 34.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.515 ' HE3' ' HA ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.14 -31.71 16.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.993 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t -84.84 -5.84 59.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.7 t 57.16 90.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -121.16 -171.01 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -89.71 14.26 12.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.464 HD22 ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 54.41 27.37 8.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.156 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -165.58 4.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.09 170.4 16.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.232 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.49 138.4 50.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -167.77 150.77 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -129.0 119.18 23.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.538 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.523 ' SD ' HG21 ' A' ' 45' ' ' VAL . 12.2 mtm -91.6 168.3 11.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.916 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.504 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -147.6 102.99 3.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.795 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 17.4 p-90 -56.04 120.17 7.04 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.387 0.613 . . . . 0.0 111.632 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 93' ' ' LEU . 5.1 mt -70.1 141.14 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.477 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -81.61 -164.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.82 -20.61 45.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -110.84 17.89 20.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.037 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.498 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 78.85 60.21 2.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.315 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.477 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -131.17 86.09 52.2 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.618 0.247 . . . . 0.0 111.58 -179.678 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.3 Cg_exo -63.74 117.76 4.73 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.615 2.21 . . . . 0.0 111.56 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 71.2 m -118.12 143.72 46.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.021 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.466 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 6.5 p -49.09 107.55 0.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.601 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.578 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.9 p -98.5 25.55 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.716 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.6 m -80.82 59.36 3.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.34 144.25 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.796 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -65.24 -29.22 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -28.94 37.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.578 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -61.26 -51.48 68.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.698 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.448 HD12 ' CG2' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -67.82 -27.61 66.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.151 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.17 -35.04 79.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.166 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -73.97 -30.01 62.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.761 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.01 95.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.694 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.404 ' CE2' HD23 ' A' ' 77' ' ' LEU . 21.8 m-85 -70.11 -36.17 74.65 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.505 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -27.93 69.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.274 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.432 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.81 0.338 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.498 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -75.3 120.66 21.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 179.712 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.5 ' HB3' HD12 ' A' ' 62' ' ' ILE . 88.6 mt -112.03 146.57 37.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.972 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.795 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 15.6 mt -146.93 158.57 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.639 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.485 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -118.66 106.7 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.713 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 42.9 t -78.72 121.9 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.914 0.387 . . . . 0.0 110.961 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.537 ' HB2' ' O ' ' A' ' 58' ' ' THR . 55.6 m-85 -117.87 130.65 24.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.555 ' HG3' ' HD3' ' A' ' 24' ' ' ARG . 79.5 Cg_endo -78.43 130.92 10.25 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.568 2.179 . . . . 0.0 112.243 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.047 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.467 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.787 0.327 . . . . 0.0 110.718 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -103.53 131.7 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.063 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.471 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 4.1 mtm180 -76.98 77.34 3.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.0 0.429 . . . . 0.0 109.938 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 92' ' ' LEU . 85.7 t -92.98 135.92 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.541 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.518 ' HB3' HG22 ' A' ' 27' ' ' ILE . 14.7 mttm -127.7 113.88 16.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.48 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -82.49 158.28 23.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.307 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -129.98 73.78 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.49 179.79 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.514 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . 25.8 t80 -83.8 115.73 22.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.846 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 55.93 24.65 7.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.86 46.2 5.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.354 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 3.6 t0 -140.47 122.78 15.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.749 0.309 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.518 HG22 ' HB3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -83.43 121.54 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.093 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -117.72 128.18 54.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.0 mm -78.28 118.66 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.95 119.27 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 18' ' ' ARG . 3.4 m-70 -120.71 130.04 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.461 ' CE1' HG21 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -135.18 161.43 35.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.7 149.66 40.63 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.96 -23.94 33.92 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.555 2.17 . . . . 0.0 112.391 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.9 57.86 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 tt -133.44 146.51 31.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.76 168.1 10.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -62.39 -30.26 71.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -43.82 78.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.711 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.17 -24.34 76.58 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.426 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -10.42 57.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -45.16 25.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.577 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -74.77 -25.2 58.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.647 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.02 -57.22 4.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.782 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.462 HG13 ' HE3' ' A' ' 48' ' ' MET . 95.0 t -59.69 -30.46 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.644 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -79.49 -26.81 41.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.17 -29.62 61.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.462 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -89.98 -36.7 14.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -84.9 -15.9 42.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.01 -179.856 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.38 94.59 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.644 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 44.1 m-85 -115.72 -172.84 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.519 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.71 17.77 5.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.654 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 m120 56.97 22.81 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.909 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -160.71 -0.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -70.1 146.96 50.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.78 140.74 33.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.009 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -169.31 134.07 1.46 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.678 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.9 m -111.17 119.05 37.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.464 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 96' ' ' VAL . 17.9 mtm -96.84 160.69 14.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.817 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.502 ' HB3' ' N ' ' A' ' 70' ' ' THR . 0.0 OUTLIER -139.0 111.38 7.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.676 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.684 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 15.5 p-90 -60.01 121.64 12.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.321 0.581 . . . . 0.0 111.775 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.458 ' CG2' ' HA2' ' A' ' 66' ' ' GLY . 5.4 mt -69.86 135.1 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.85 -167.86 1.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -78.13 -19.19 54.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.079 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -107.49 15.4 24.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.458 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 76.94 60.48 2.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.032 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.59 87.63 49.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 N-CA-C 111.536 0.198 . . . . 0.0 111.536 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.49 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 37.3 Cg_exo -60.82 95.3 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.414 2.076 . . . . 0.0 111.817 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.45 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 40.1 t -88.96 124.97 34.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.965 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.502 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -47.79 113.74 0.77 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.549 -179.673 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.674 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.6 p -111.7 122.0 65.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.65 42.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.93 152.3 32.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -63.26 -29.57 70.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.69 -31.55 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.799 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.674 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -57.67 -56.24 24.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.42 HD12 HG21 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -65.68 -31.93 73.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.866 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 1.2 tp10 -61.06 -37.19 81.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.027 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -72.16 -28.31 63.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.729 179.302 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -69.32 -27.99 65.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.396 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -80.68 -41.62 23.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.408 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 82' ' ' ARG . 3.5 ttm180 -61.97 -41.43 98.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.624 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.509 179.75 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.806 0.336 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -90.61 105.17 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.497 ' C ' HG13 ' A' ' 94' ' ' ILE . 82.3 mt -95.12 146.56 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.785 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.684 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 9.8 mt -146.68 157.35 10.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -118.92 106.91 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.422 179.633 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.54 HG23 ' HB1' ' A' ' 21' ' ' ALA . 43.4 t -78.4 126.06 38.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.874 0.369 . . . . 0.0 111.151 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.54 ' HB2' ' O ' ' A' ' 58' ' ' THR . 56.9 m-85 -122.01 119.63 28.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.231 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.19 154.31 66.14 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.43 2.087 . . . . 0.0 112.041 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.889 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.772 0.32 . . . . 0.0 111.134 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.01 132.2 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HE ' ' HB2' ' A' ' 18' ' ' ARG . 6.9 ttm180 -77.39 110.23 11.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.756 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 46.0 t -121.36 133.06 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.481 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -128.28 112.65 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 179.68 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -82.07 159.88 23.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.388 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 14.0 m-85 -130.65 81.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.657 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 14.1 t80 -83.81 100.41 10.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.756 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.52 ' HD2' ' HG3' ' A' ' 98' ' ' PRO . 0.3 OUTLIER 55.21 31.49 16.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.077 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.16 50.54 2.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.606 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -145.64 109.53 4.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.686 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.496 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -77.58 115.42 19.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.321 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.0 mtt -109.6 123.45 49.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -78.57 112.55 16.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.279 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 t -149.23 128.69 13.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -113.93 154.71 27.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.044 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.519 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 37.2 m-85 -138.98 -172.05 3.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.764 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -106.09 149.83 38.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.679 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.71 -4.97 6.48 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.622 2.214 . . . . 0.0 112.52 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.86 56.38 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 37' ' ' SER . 3.2 tp -123.24 143.98 34.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.463 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -94.53 161.05 14.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.741 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -70.82 -30.45 66.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.53 -42.12 87.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.005 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.4 -15.16 81.75 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -9.7 52.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.319 . . . . 0.0 111.001 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.04 -47.55 20.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.61 -25.57 59.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.726 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.61 -53.95 16.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.474 HG13 ' HE2' ' A' ' 48' ' ' MET . 85.4 t -64.33 -34.33 68.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.631 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.483 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -72.41 -24.45 61.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.775 179.788 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -78.64 -34.31 46.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.474 ' HE2' HG13 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.7 -24.68 26.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 75.9 m -97.92 -15.91 19.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m 59.78 100.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.483 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 28.6 m-85 -129.9 -165.19 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -101.26 14.37 32.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.808 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m120 61.79 8.87 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.44 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -138.23 -1.74 1.9 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.521 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.04 146.8 52.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.898 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.44 143.47 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.684 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -171.85 150.44 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.971 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -129.13 115.96 18.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.493 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -89.05 160.37 17.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.673 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 13.5 mttt -138.9 102.91 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.786 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.692 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 9.2 p-90 -63.37 126.85 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.252 0.549 . . . . 0.0 111.512 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.616 HG13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -68.11 140.54 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.737 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.627 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.9 OUTLIER -75.44 -149.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.002 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.09 -35.85 36.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.01 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.22 13.82 33.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.118 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.563 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 86.64 61.22 1.63 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.699 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.627 ' H ' ' H ' ' A' ' 63' ' ' ASP . 2.7 m-20 -124.07 89.69 51.49 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.7 0.286 . . . . 0.0 110.893 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.616 ' HG3' HG13 ' A' ' 62' ' ' ILE . 36.5 Cg_exo -57.97 115.37 2.48 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.705 2.27 . . . . 0.0 111.814 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.3 t -117.75 139.15 51.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.473 ' OG1' ' HE2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -56.74 109.22 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.373 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.527 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.3 p -105.73 104.84 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 p -132.06 38.43 3.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -146.38 144.25 29.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -63.4 -28.05 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 2.9 tt -82.26 -28.81 31.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.527 ' HB3' HG23 ' A' ' 71' ' ' VAL . 4.1 mm-40 -60.8 -48.22 82.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.18 -32.62 72.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.225 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -38.8 92.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.296 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.02 -28.05 64.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.058 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.97 86.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.539 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -69.82 -43.11 72.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.626 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -63.11 -35.54 80.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.813 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.85 0.357 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -76.94 113.3 14.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.482 ' C ' HG13 ' A' ' 94' ' ' ILE . 65.4 mt -108.87 145.64 35.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.973 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.692 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 12.4 mt -146.95 158.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.477 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.566 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 4.0 m-70 -118.69 106.9 13.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.74 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 67.8 t -77.06 124.34 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.985 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.565 ' HB2' ' O ' ' A' ' 58' ' ' THR . 64.7 m-85 -117.92 124.63 28.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.52 ' HG3' ' HD2' ' A' ' 24' ' ' ARG . 38.3 Cg_endo -65.7 146.35 83.72 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.517 2.145 . . . . 0.0 112.223 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.418 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 121.007 0.432 . . . . 0.0 111.187 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.521 HG13 HG23 ' A' ' 19' ' ' VAL . 11.0 p -73.11 141.65 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.52 107.18 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.666 HG22 ' HB3' ' A' ' 92' ' ' LEU . 91.8 t -125.44 140.68 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.817 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 93' ' ' LEU . 6.0 mtpt -130.23 120.27 24.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.819 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.526 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -82.11 164.49 21.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.28 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 0.7 OUTLIER -139.52 76.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.632 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.586 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 25.3 t80 -83.74 114.28 21.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 2.9 ptt85 53.8 12.82 0.45 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.709 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.89 41.96 1.75 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.642 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -136.74 122.47 19.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 110.798 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -82.23 127.69 39.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.446 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 1.7 mpp? -122.0 131.21 53.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.759 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.7 mm -83.24 112.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 t -147.23 132.76 18.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -118.16 134.5 54.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 31.3 m-85 -118.54 172.25 7.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.73 155.5 75.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.692 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.59 -12.25 27.32 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.516 2.144 . . . . 0.0 112.383 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 p -123.68 70.92 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.668 HG12 HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -124.92 147.35 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.68 163.55 13.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -63.63 -25.06 68.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.83 -58.47 7.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.78 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.13 -27.75 73.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.419 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.668 HD12 HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -66.2 -15.35 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.754 0.312 . . . . 0.0 110.765 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.25 -54.79 9.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.556 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.435 ' HB3' ' NH2' ' A' ' 46' ' ' ARG . 35.0 m-80 -66.01 -23.97 66.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.496 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.16 -57.04 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.48 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.527 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 89.9 t -62.33 -28.0 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.615 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.435 ' NH2' ' HB3' ' A' ' 43' ' ' ASN . 3.2 ttp180 -71.73 -34.53 69.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.837 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -32.73 67.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.91 -20.17 29.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.154 -179.806 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -97.87 -9.98 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.7 t 56.76 86.05 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -119.55 -174.44 2.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.662 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -89.69 12.58 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.696 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.422 HD21 ' NH1' ' A' ' 46' ' ' ARG . 5.0 m120 61.84 9.65 3.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.255 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 3.3 mt-10 -139.24 -7.69 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.71 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.11 153.55 33.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.589 ' HB3' ' HB3' ' A' ' 99' ' ' CYS . 0.2 OUTLIER -103.92 140.77 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 7.3 p90 -168.29 144.71 3.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.522 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -122.9 118.02 26.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.737 -179.623 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.51 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 39.8 mtm -89.2 167.99 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.719 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.497 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 2.8 mttm -148.62 102.81 3.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.729 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.704 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 21.6 p-90 -54.32 117.5 3.34 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.455 0.645 . . . . 0.0 111.405 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 93' ' ' LEU . 10.3 mt -71.32 134.56 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.302 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.15 -162.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -39.84 50.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.252 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -92.12 13.81 17.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.252 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.517 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 82.85 63.82 1.72 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.308 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.82 81.77 66.31 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.564 0.221 . . . . 0.0 111.488 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.706 ' HG3' HG12 ' A' ' 62' ' ' ILE . 38.2 Cg_exo -59.87 115.75 2.83 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.549 2.166 . . . . 0.0 111.745 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 65.9 m -117.26 143.24 46.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.044 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -53.55 121.27 7.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.374 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.828 HG21 HD12 ' A' ' 77' ' ' LEU . 11.0 p -105.59 41.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.412 0.625 . . . . 0.0 111.096 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.0 p -81.34 30.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.897 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.6 138.01 25.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.676 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -62.3 -32.22 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 0.6 OUTLIER -72.17 -28.92 63.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.952 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.529 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -63.51 -45.89 88.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.002 0.429 . . . . 0.0 110.4 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -69.08 -28.22 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.036 179.418 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -38.42 74.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.417 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.6 -27.46 65.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.195 0.522 . . . . 0.0 109.975 179.45 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.498 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -68.63 -46.15 69.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.887 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -58.79 -41.68 87.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.617 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 82' ' ' ARG . 1.5 mtm-85 -65.81 -29.19 69.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 179.85 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.885 0.374 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.666 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -71.7 99.8 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.324 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 62' ' ' ILE . 74.0 mt -104.85 154.56 19.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.704 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 7.7 mt -147.24 156.94 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.406 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -118.93 106.68 12.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.613 179.762 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.7 t -78.61 123.47 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 58' ' ' THR . 53.1 m-85 -119.45 129.59 25.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.93 114.64 3.97 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.589 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 3.4 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.909 0.385 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.22 129.01 35.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.187 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -74.78 117.78 17.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.745 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 92' ' ' LEU . 40.0 t -124.95 141.36 45.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -127.63 119.98 27.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.739 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 28' ' ' MET . . . -81.89 142.82 32.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 6.0 m-85 -121.51 75.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.312 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 1.1 t80 -83.35 113.69 20.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.364 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.16 21.04 4.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.249 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.83 44.13 3.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.575 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.58 122.17 16.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 0.0 110.575 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.548 HG22 ' HB3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -73.85 142.52 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.572 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -136.48 135.0 38.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.692 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.4 mm -83.2 110.8 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -148.54 127.29 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -117.97 149.7 40.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.436 ' HE1' ' HG3' ' A' ' 44' ' ' GLU . 97.6 m-85 -135.07 164.63 27.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -90.31 151.79 44.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.672 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.05 -25.63 13.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.637 2.225 . . . . 0.0 112.627 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.23 57.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.01 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 37' ' ' SER . 5.2 tp -117.13 147.95 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.037 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.666 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -107.65 160.7 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.48 -33.32 75.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.666 ' HG2' ' HB2' ' A' ' 37' ' ' SER . 1.2 pt-20 -56.46 -51.33 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.54 -20.63 78.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.366 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.88 -16.99 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.352 . . . . 0.0 110.711 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -81.18 -44.02 18.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.666 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 72.8 m-20 -69.12 -27.08 65.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.333 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.436 ' HG3' ' HE1' ' A' ' 32' ' ' PHE . 13.2 mm-40 -75.47 -38.63 59.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.611 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.678 HG13 ' HE3' ' A' ' 48' ' ' MET . 27.9 t -71.04 -40.85 76.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' HA ' ' HD2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -72.9 -22.47 60.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.91 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 26.8 t70 -76.49 -41.49 46.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.678 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -79.08 -29.58 43.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.002 -179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.5 t -86.67 -6.18 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.98 88.58 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.467 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 6.3 m-85 -119.35 -168.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.678 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.63 14.89 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.423 . . . . 0.0 110.841 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.7 m120 54.95 21.42 3.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.18 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.41 ' H ' ' H ' ' A' ' 55' ' ' GLN . 7.0 tt0 -163.51 0.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.812 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.41 ' H ' ' H ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -65.77 159.82 24.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 -179.543 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.5 140.35 38.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.808 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.629 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 9.4 p90 -169.1 137.45 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 18.8 m -113.8 122.95 48.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.355 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.522 ' CE ' HG21 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -97.43 165.14 12.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.615 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.512 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -142.6 110.08 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.589 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.718 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 14.8 p-90 -59.32 124.05 18.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.317 0.579 . . . . 0.0 111.708 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.568 HG23 ' HA2' ' A' ' 66' ' ' GLY . 12.8 mt -68.01 131.72 33.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.663 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -70.55 -160.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -84.78 -15.98 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -115.7 19.04 15.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.183 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.568 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 77.41 59.57 3.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.308 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.663 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 7.3 m-20 -130.44 82.2 65.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.573 0.225 . . . . 0.0 111.023 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.536 ' HB3' ' HB2' ' A' ' 95' ' ' HIS . 53.1 Cg_exo -55.46 97.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.508 2.138 . . . . 0.0 111.847 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.432 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 44.6 t -94.89 133.97 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.747 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.38 110.12 0.16 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.626 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.622 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.2 p -101.33 29.11 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.433 ' HB3' HG23 ' A' ' 58' ' ' THR . 88.6 p -82.12 55.86 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.857 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.63 154.69 24.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.806 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -42.49 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -18.0 60.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.622 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 1.1 tp10 -65.41 -49.94 67.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tp -69.35 -31.1 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.122 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -38.52 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.141 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.31 -29.82 65.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.701 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.52 -30.6 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.863 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.36 -49.81 31.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.738 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -61.08 -40.99 95.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.751 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 179.769 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.844 0.355 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -82.53 117.65 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.535 ' C ' HG13 ' A' ' 94' ' ' ILE . 94.6 mt -113.75 141.52 47.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.509 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.718 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 3.2 mt -142.91 159.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.628 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.599 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -118.42 107.03 13.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.851 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 42.1 t -78.0 122.09 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.981 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 58' ' ' THR . 38.8 m-85 -123.63 113.99 28.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.629 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 38.1 Cg_exo -56.97 166.48 3.96 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.376 2.051 . . . . 0.0 112.23 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.87 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.23 166.69 3.09 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.562 2.174 . . . . 0.0 112.256 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.3 153.73 33.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.63 -71.8 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.543 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.08 11.91 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.718 0.294 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -61.63 106.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -72.03 134.5 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -73.04 116.38 13.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 92' ' ' LEU . 29.2 t -123.07 127.94 74.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 117.08 29.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.574 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.7 161.91 19.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 2.7 m-85 -141.13 81.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.628 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 26.6 t80 -90.97 111.07 22.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.686 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 57.0 21.12 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.7 49.14 2.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.588 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 30.8 t70 -142.27 120.48 12.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.773 0.32 . . . . 0.0 110.778 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -84.01 130.78 35.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.29 136.44 52.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.4 mm -85.69 101.19 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.197 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 t -134.49 128.64 33.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -117.63 140.18 50.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.023 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -120.75 158.86 26.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.764 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.611 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -71.36 157.56 89.8 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.53 -18.0 61.42 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.4 2.067 . . . . 0.0 112.216 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -111.58 42.8 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.611 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 1.2 tp -97.38 146.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.503 ' N ' HG13 ' A' ' 36' ' ' ILE . 60.3 p -109.77 171.16 7.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.577 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -74.66 -26.98 60.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -43.72 98.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -82.97 -18.44 65.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.523 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -70.7 -14.71 62.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.44 -40.69 29.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.748 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 1.2 m120 -76.51 -23.61 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.52 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -40.04 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.727 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.619 HG13 ' HE3' ' A' ' 48' ' ' MET . 62.5 t -69.46 -37.62 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.456 HH11 ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -76.64 -22.07 54.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.851 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 1.5 t0 -76.13 -43.23 44.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.842 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.619 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -74.37 -32.96 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.23 -10.26 50.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m 57.33 89.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -116.62 -168.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.761 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.36 13.69 11.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m120 55.7 25.4 8.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.144 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -165.08 -0.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.8 152.96 44.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.951 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.31 143.29 28.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.692 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.524 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 10.3 p90 -168.65 152.03 5.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -127.43 114.75 17.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.388 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.513 ' HG2' ' HA ' ' A' ' 96' ' ' VAL . 50.0 mtm -90.65 164.5 14.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.289 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.56 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 4.6 mttt -146.37 105.31 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.68 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.676 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 10.3 p-90 -63.05 124.23 20.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.323 0.582 . . . . 0.0 111.163 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.659 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -68.13 147.4 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.041 -179.53 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -80.93 -157.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' H ' ' HB3' ' A' ' 63' ' ' ASP . 15.5 pt-20 -83.47 -21.37 32.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -106.83 4.55 27.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.052 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.659 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 91.91 59.85 1.3 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 44.9 m-20 -130.25 92.75 35.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.585 0.231 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.56 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.1 Cg_exo -64.24 109.06 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.734 2.29 . . . . 0.0 111.669 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.8 t -115.43 148.98 38.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.145 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.14 121.01 3.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.45 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.77 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 5.4 p -107.57 20.71 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.113 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 t -80.51 59.26 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.681 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 14.0 t -160.4 143.3 13.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.765 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -36.1 81.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.91 -17.87 49.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.77 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.4 OUTLIER -66.17 -56.22 12.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.84 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tp -68.79 -29.02 67.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.991 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -37.81 87.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.077 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.23 -28.64 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.764 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.21 68.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.388 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.1 -37.09 84.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.305 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -72.26 -29.49 63.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.502 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.628 ' HA ' ' HB2' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -69.08 -30.86 69.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.628 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.421 ' HA ' ' HB2' ' A' ' 90' ' ' SER . 63.2 t80 -56.03 -41.31 74.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -91.38 -17.59 25.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.025 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' A' ' 83' ' ' LEU . 1.3 mt -72.52 -16.04 61.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.81 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -142.76 59.04 1.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.791 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.6 mttp 61.13 -87.34 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.076 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.35 80.48 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.819 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -83.3 93.45 7.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.678 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -48.23 122.97 5.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.084 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -72.13 102.14 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.678 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.493 ' C ' HG13 ' A' ' 94' ' ' ILE . 1.5 mp -107.78 144.84 34.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.676 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 8.5 mt -143.7 154.98 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.657 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.412 ' CD2' HD12 ' A' ' 62' ' ' ILE . 3.7 m-70 -114.35 107.44 15.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.2 t -78.19 124.26 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 58' ' ' THR . 71.8 m-85 -118.85 131.46 24.31 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.048 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.54 115.24 4.21 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.506 2.138 . . . . 0.0 112.344 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.524 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.132 0 CA-C-O 120.155 -0.247 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.46 150.05 51.19 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.514 2.143 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 mp -124.17 85.91 2.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.825 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.3 65.68 0.57 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.552 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.42 -49.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.823 0.344 . . . . 0.0 110.663 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 31' ' ' HIS . 39.0 mt-30 -142.44 113.23 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -76.67 139.95 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.028 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 18' ' ' ARG . 16.0 ttp-105 -76.18 111.82 12.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.772 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.489 HG22 ' HB3' ' A' ' 92' ' ' LEU . 78.3 t -121.11 129.42 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HB2' ' HG ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -114.48 115.71 27.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.674 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.63 158.24 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.8 OUTLIER -144.26 73.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.547 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 30.7 t80 -83.54 107.03 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.39 22.95 6.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.5 32.98 5.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -119.68 113.84 21.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 110.722 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -84.18 105.8 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.192 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.57 129.74 55.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -78.61 119.29 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.055 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.2 t -148.78 130.67 15.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.037 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 16' ' ' GLN . 3.1 m-70 -116.85 135.75 53.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.412 ' HD2' HG21 ' A' ' 19' ' ' VAL . 67.7 m-85 -117.1 166.76 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -97.47 155.29 37.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -77.94 33.71 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.545 2.163 . . . . 0.0 112.624 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.27 11.53 1.53 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.495 HG22 ' O ' ' A' ' 33' ' ' GLU . 16.0 tt -104.51 143.68 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 p -90.38 177.87 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.423 ' CD1' HD13 ' A' ' 77' ' ' LEU . 72.5 t80 -76.02 -28.01 57.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.29 -45.39 88.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.716 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.7 -24.92 71.11 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.207 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -67.89 -14.31 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.59 -36.53 37.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.275 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -79.18 -24.89 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.347 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -73.89 -40.69 63.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.746 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.476 HG21 ' CE ' ' A' ' 59' ' ' MET . 72.8 t -69.46 -39.68 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.69 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -76.33 -19.36 58.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.829 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -78.4 -34.13 48.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.738 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.35 -20.83 24.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.966 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 t -100.79 -4.11 28.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.1 m 57.24 89.51 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.69 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 3.1 m-85 -117.99 -170.75 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.649 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 20.1 m-20 -91.58 10.98 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.618 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.2 m120 63.72 0.72 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.755 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -142.61 2.61 1.42 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.882 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.52 152.3 45.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.823 0.344 . . . . 0.0 110.979 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.82 140.89 33.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.515 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 6.9 p90 -168.64 130.24 1.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.807 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 17.1 m -104.1 119.0 38.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 0.0 111.47 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.476 ' CE ' HG21 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -94.78 167.91 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.75 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.508 ' HG2' ' N ' ' A' ' 70' ' ' THR . 17.0 mttt -145.22 102.77 3.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.786 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.74 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 10.6 p-90 -60.98 122.25 14.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.159 0.504 . . . . 0.0 111.504 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.609 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -68.12 146.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.964 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.623 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.6 OUTLIER -81.31 -168.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.894 -179.841 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -77.61 -10.06 59.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.01 -0.69 12.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.788 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.609 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 95.35 55.94 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.383 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.623 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 22.9 m-20 -128.33 91.39 44.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.644 0.259 . . . . 0.0 111.163 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.476 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 38.1 Cg_exo -60.85 117.29 4.04 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.783 2.322 . . . . 0.0 111.637 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -114.59 137.91 51.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.776 0.322 . . . . 0.0 111.143 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.508 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 3.9 m -54.71 117.25 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.427 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.696 HG23 ' HB3' ' A' ' 76' ' ' GLU . 3.2 p -118.47 118.12 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 p -151.52 38.01 0.61 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.75 160.77 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -72.48 -33.25 66.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.02 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.36 -24.79 34.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.194 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.696 ' HB3' HG23 ' A' ' 71' ' ' VAL . 15.9 mm-40 -61.87 -59.78 4.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -65.2 -28.33 69.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.243 179.459 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.527 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 2.7 tt0 -66.7 -34.47 77.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.333 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -73.19 -28.45 62.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.717 179.393 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -69.66 -37.76 76.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.864 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.476 ' HA ' HD11 ' A' ' 92' ' ' LEU . 4.5 m-85 -66.18 -45.84 79.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -35.18 73.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.27 -38.08 89.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.732 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.443 ' HB2' HD12 ' A' ' 92' ' ' LEU . 86.9 t80 -64.0 -33.76 76.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -94.74 6.98 47.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.077 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.6 -34.33 10.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -121.22 50.96 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.753 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.6 mttm 63.69 -82.28 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.151 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.67 93.71 2.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 m -83.21 -11.04 58.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 59.23 100.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.047 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.489 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.3 92.76 1.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.826 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.542 ' C ' HG13 ' A' ' 94' ' ' ILE . 3.3 mp -106.01 149.13 26.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.74 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 4.5 mt -145.36 152.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' MET . 4.4 m-70 -110.85 107.07 16.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.521 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 46.7 t -79.44 120.9 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.998 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 58' ' ' THR . 60.0 m-85 -116.52 122.49 31.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.34 117.72 4.94 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.53 2.153 . . . . 0.0 112.386 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.515 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 4.8 t . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.18 -0.914 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.098 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.5 -45.39 40.1 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.675 2.25 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.08 34.19 23.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.038 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.94 66.18 1.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.56 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 t -166.92 -49.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 9.6 pt20 -153.56 105.13 2.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.814 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.425 HG21 HD13 ' A' ' 92' ' ' LEU . 2.8 p -72.91 132.3 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.144 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 3.2 ttm180 -71.78 116.71 12.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.63 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 92' ' ' LEU . 85.6 t -128.83 142.47 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 116.72 18.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.691 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.05 163.56 19.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.261 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 2.0 m-85 -142.44 74.28 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.98 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 22.7 t80 -83.86 109.5 17.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.671 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 55.92 26.89 10.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 38.91 6.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.643 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.3 m-20 -129.62 119.41 23.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.335 . . . . 0.0 110.785 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -82.18 130.36 35.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.251 -179.889 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -127.49 123.6 36.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mm -79.25 105.71 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 t -138.42 136.28 36.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 16' ' ' GLN . 2.4 m-70 -118.88 135.68 54.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -120.39 178.92 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.62 150.42 69.85 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.739 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.27 -9.27 25.37 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.464 2.109 . . . . 0.0 112.401 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.11 47.04 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.8 tt -104.71 149.35 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.7 m -100.32 167.18 10.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -70.48 -27.48 64.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.765 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.9 -41.95 88.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.52 -21.45 58.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.598 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -68.26 -11.53 59.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.81 0.338 . . . . 0.0 111.029 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.4 t -81.78 -43.39 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.799 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -71.6 -25.63 62.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.512 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.98 -43.6 53.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.787 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.481 HG11 ' SD ' ' A' ' 59' ' ' MET . 56.8 t -67.65 -40.74 84.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -70.64 -25.06 62.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.789 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -70.24 -49.27 51.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -28.4 60.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t -88.56 -9.08 53.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.974 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 t 59.39 95.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.012 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.525 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 12.4 m-85 -131.14 -179.59 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.69 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.67 14.32 13.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m120 59.37 13.18 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.202 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -141.29 -12.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 158.55 6.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.17 139.41 39.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.606 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 6.2 p90 -169.04 139.19 2.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -113.56 114.17 26.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.472 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.518 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 9.5 mtm -100.67 138.12 38.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.55 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.513 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -123.77 116.56 23.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 -179.788 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.732 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 11.4 p-90 -57.75 122.85 13.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.397 0.618 . . . . 0.0 111.765 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' ' 93' ' ' LEU . 6.8 mt -71.36 133.63 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.213 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.48 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -76.43 178.95 6.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.66 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.86 -31.49 72.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.772 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -92.25 -2.17 56.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 92.44 61.8 1.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.171 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.48 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -130.8 88.45 46.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.622 0.249 . . . . 0.0 111.155 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.513 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 32.0 Cg_exo -58.73 95.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.49 2.127 . . . . 0.0 111.715 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.498 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 12.5 m -96.85 134.15 40.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.424 HG23 ' HD3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -46.3 109.87 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.486 -179.494 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.869 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.2 p -94.14 26.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.063 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.6 56.9 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.603 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 13.4 t -162.15 142.9 10.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.577 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -63.61 -32.3 73.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.85 -21.66 37.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.197 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.869 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 3.2 tp10 -64.28 -47.66 78.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.477 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.412 HD12 HG21 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -70.44 -33.09 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.342 179.533 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -40.34 93.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.448 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.536 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -66.68 -32.27 73.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.178 179.574 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.536 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -62.74 -41.21 99.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.457 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.34 -38.78 90.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.175 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 5.8 ttp180 -68.11 -21.59 64.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.51 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -35.85 58.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.204 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.61 -30.43 67.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -107.18 25.59 11.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.019 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -138.36 10.22 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.75 58.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.58 -94.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.25 80.64 1.94 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.905 0.383 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.5 t -88.09 88.14 7.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.809 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.27 134.22 56.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -71.98 99.95 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.489 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . 1.6 mp -109.43 149.54 29.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.526 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.732 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 34.0 mt -146.3 155.51 12.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.518 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -113.1 107.26 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.783 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 58.6 t -78.62 116.41 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.956 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.4 m-85 -113.9 117.54 43.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.127 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.25 107.98 2.25 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.427 2.085 . . . . 0.0 112.337 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.606 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.573 -0.211 . . . . 0.0 112.573 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.12 173.7 13.24 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.518 2.146 . . . . 0.0 112.366 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.05 -19.47 5.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.811 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.03 -83.9 1.05 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.423 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.426 ' OG ' ' HG3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -154.78 23.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -64.64 115.08 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 p -72.57 132.45 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 18' ' ' ARG . 7.0 ttp180 -74.04 119.64 18.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 92' ' ' LEU . 48.4 t -128.09 138.41 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -126.46 117.6 23.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.883 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -81.48 154.19 26.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 4.9 m-85 -130.35 78.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.475 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.532 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 43.9 t80 -83.88 106.87 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.812 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.57 18.41 7.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.33 41.36 3.01 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.731 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -135.48 119.27 17.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.66 0.267 . . . . 0.0 110.799 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.475 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -78.08 128.43 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -124.07 133.2 53.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.73 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.3 mm -81.21 107.57 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -140.88 125.53 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.292 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -118.91 144.92 46.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.612 ' HB3' HG21 ' A' ' 36' ' ' ILE . 33.2 m-85 -123.47 171.04 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.4 153.08 73.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.659 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HG3' ' OG ' ' A' ' 15' ' ' SER . 61.2 Cg_endo -73.2 12.44 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.523 2.148 . . . . 0.0 112.493 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.52 31.9 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' A' ' 32' ' ' PHE . 3.5 tt -97.57 149.52 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 m -95.83 160.42 14.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.55 -21.62 66.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -55.52 33.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.952 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.45 -15.83 68.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.585 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -68.82 -17.47 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 110.973 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.6 t -70.51 -48.52 55.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 6.1 t30 -71.02 -24.85 62.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.287 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -41.15 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.696 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 41' ' ' LEU . 86.4 t -71.76 -41.79 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.554 ' NH1' HD22 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -70.85 -17.87 62.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.887 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 16.6 t0 -76.47 -50.97 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -26.2 55.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.266 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.36 -12.47 34.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.71 92.86 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 8.8 m-85 -126.46 -170.79 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.753 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.94 16.71 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.802 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.554 HD22 ' NH1' ' A' ' 46' ' ' ARG . 4.7 m120 55.1 23.46 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.151 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.84 -3.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.98 158.71 24.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.009 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.03 139.2 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.077 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.514 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.4 p90 -169.87 153.63 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.557 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 5.0 m -133.38 115.47 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.016 0.436 . . . . 0.0 111.796 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -90.98 162.23 14.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.318 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 12.2 mttt -144.22 103.77 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.922 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.78 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 8.0 p-90 -59.73 123.34 16.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.227 0.537 . . . . 0.0 111.036 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.587 HG22 ' HB2' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -67.9 146.61 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.091 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.728 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -81.79 -161.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' HA ' ' OD1' ' A' ' 89' ' ' ASP . 1.2 pt-20 -79.07 -20.97 47.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.63 15.56 21.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.564 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 81.12 60.68 2.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.529 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.728 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 30.5 m-20 -130.52 89.07 45.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 110.993 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.507 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 31.8 Cg_exo -59.1 110.98 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.633 2.222 . . . . 0.0 111.984 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.5 t -110.69 143.7 40.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.0 p -48.06 103.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.556 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.401 ' HB ' ' HD1' ' A' ' 61' ' ' TRP . 6.1 p -99.82 19.72 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.77 55.44 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.22 162.74 40.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -77.11 -37.87 53.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.52 -24.65 36.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -60.95 3.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.74 -29.29 70.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.087 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -34.29 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.993 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.491 ' HG2' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -72.47 -31.8 65.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.598 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.491 ' N ' ' HG2' ' A' ' 79' ' ' GLU . . . -64.6 -39.98 94.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.716 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -70.89 -30.81 67.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.337 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -66.23 -30.15 70.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.199 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mp -76.02 -35.18 59.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.411 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -64.41 -26.23 68.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.721 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -59.63 -46.9 87.63 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.26 1.76 55.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.488 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 57.19 48.44 15.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.373 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -77.77 -8.4 57.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 0.0 110.515 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.463 ' OD1' ' HA ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -144.42 -28.88 0.49 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.645 179.726 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.87 19.02 5.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.309 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -171.18 127.2 0.69 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.0 111.045 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -94.53 109.85 21.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.747 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.587 ' HB2' HG22 ' A' ' 62' ' ' ILE . 64.0 mt -112.83 148.21 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.811 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.78 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 5.4 mt -144.28 162.04 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.655 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.482 ' N ' HG22 ' A' ' 94' ' ' ILE . 1.4 m-70 -122.24 106.81 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.382 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 24.4 t -79.11 128.38 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.392 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 58' ' ' THR . 79.1 m-85 -121.51 130.24 24.87 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.7 111.02 3.16 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.429 2.086 . . . . 0.0 112.345 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.514 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 1.2 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.79 125.7 9.61 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.72 2.28 . . . . 0.0 112.378 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.59 97.26 3.13 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 15' ' ' SER . . . -118.1 166.74 12.8 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.624 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 47.5 m 74.03 -33.53 0.26 Allowed 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 122.635 0.374 . . . . 0.0 111.627 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 25.6 mt-30 -152.17 102.72 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.43 139.47 18.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -79.53 115.94 19.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 42.5 t -128.28 134.15 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.237 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -122.71 117.42 25.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.632 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -81.95 157.12 24.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -131.89 78.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.526 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 61.5 t80 -83.56 104.76 13.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.953 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.09 29.23 12.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 53.67 2.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.551 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.48 117.49 5.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.369 . . . . 0.0 110.772 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -82.15 129.88 36.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -127.52 134.1 49.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.79 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mm -78.17 115.32 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.324 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.8 t -149.2 128.33 12.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.026 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -118.7 147.72 43.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.984 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 41.2 m-85 -128.43 -174.11 3.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 36' ' ' ILE . 37.3 mt-10 -101.54 151.25 37.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.37 -7.69 12.89 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.715 2.277 . . . . 0.0 112.202 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 t -131.11 58.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.996 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.7 tt -125.38 144.74 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.13 156.59 19.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.483 ' HD1' HD22 ' A' ' 77' ' ' LEU . 40.4 t80 -67.67 -20.41 65.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -60.64 -41.33 94.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.701 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.35 -24.11 69.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.327 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -11.62 55.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 0.0 110.843 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 t -77.84 -52.58 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -69.46 -29.28 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.96 -54.29 32.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.451 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.535 HG13 ' HE2' ' A' ' 48' ' ' MET . 43.1 t -61.11 -35.56 66.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.401 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 1.1 ttp180 -68.55 -29.61 68.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.712 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.24 -31.93 60.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.319 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.535 ' HE2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.21 -13.01 33.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.084 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 t -105.75 -10.01 16.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.8 m 59.58 93.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.525 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 14.9 m-85 -124.89 -166.16 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.36 14.75 28.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.757 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.9 m120 61.7 7.53 1.97 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.393 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.85 -2.12 1.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.743 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.37 152.98 32.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.99 137.6 40.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.628 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.3 p90 -169.24 146.66 3.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.536 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 6.2 m -127.66 121.81 31.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.125 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.514 ' HG2' HG13 ' A' ' 96' ' ' VAL . 2.6 mtm -103.11 151.93 21.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.769 ' HE2' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -130.17 116.7 18.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.382 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.721 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 15.4 p-90 -59.74 121.47 11.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.339 0.59 . . . . 0.0 111.903 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.511 ' CG2' ' HA2' ' A' ' 66' ' ' GLY . 4.0 mt -67.84 130.54 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.628 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 5.5 t0 -71.3 -159.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.573 ' HG2' HD21 ' A' ' 87' ' ' ASN . 0.3 OUTLIER -79.67 -41.07 27.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.957 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -91.66 11.51 24.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.511 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 85.03 64.32 1.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.628 ' HB3' ' HB2' ' A' ' 63' ' ' ASP . 26.1 t0 -130.96 85.38 55.24 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-O 120.608 0.242 . . . . 0.0 111.302 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.496 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 46.7 Cg_exo -56.29 95.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.55 2.167 . . . . 0.0 112.096 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.449 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 10.5 t -85.19 128.1 34.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.653 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.769 HG23 ' HE2' ' A' ' 60' ' ' LYS . 5.1 m -53.53 107.92 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.416 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.647 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.6 p -114.41 118.0 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.908 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.434 ' HA ' ' CE2' ' A' ' 38' ' ' PHE . 11.3 m -149.65 21.47 0.91 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -127.17 153.15 46.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.803 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -66.16 -29.07 69.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.34 -22.69 35.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.647 ' HB3' HG23 ' A' ' 71' ' ' VAL . 5.2 mm-40 -67.27 -55.31 14.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.483 HD22 ' HD1' ' A' ' 38' ' ' PHE . 1.9 tp -65.65 -29.3 69.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.022 0.439 . . . . 0.0 109.999 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.42 -37.59 87.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.987 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -70.09 -29.73 66.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.712 179.147 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.502 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -65.14 -33.06 75.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.593 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -71.62 -42.37 67.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.581 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -37.66 84.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.727 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 tp -82.33 -22.63 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.127 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -65.38 -35.48 81.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.033 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -58.95 -34.0 71.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.994 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.66 89.2 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.573 HD21 ' HG2' ' A' ' 64' ' ' GLU . 2.1 t-20 -166.17 133.39 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.75 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -58.89 -20.69 53.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.794 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.38 -51.31 66.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.762 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.1 m 54.94 34.12 21.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -167.36 117.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.3 111.15 7.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.417 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.457 ' C ' HG13 ' A' ' 94' ' ' ILE . 47.1 mt -111.45 148.59 32.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.928 0.394 . . . . 0.0 111.263 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.721 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 19.1 mt -146.07 154.75 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.16 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.465 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -113.57 106.8 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.675 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 10.8 t -77.01 122.91 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.815 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.3 m-85 -119.82 120.88 30.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.436 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.52 107.3 2.27 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.561 2.174 . . . . 0.0 112.231 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.628 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 33.9 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.576 -0.21 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.89 -19.14 11.17 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.594 2.196 . . . . 0.0 112.333 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER 57.51 -146.65 0.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.463 ' H ' ' HB3' ' A' ' 13' ' ' LEU . . . 88.72 33.79 9.71 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.112 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.04 -39.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.963 0.411 . . . . 0.0 110.458 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 74.5 mt-30 -146.3 103.0 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.778 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.98 130.89 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.991 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 -75.62 122.91 24.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.714 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 87.7 t -130.23 140.12 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.369 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.632 ' HD3' HD11 ' A' ' 93' ' ' LEU . 3.2 mttt -127.31 114.11 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.664 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -88.97 162.72 15.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.373 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.507 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 13.0 m-85 -133.1 76.23 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.506 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 8.3 t80 -83.35 112.43 19.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.661 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 55.4 28.94 12.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.981 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.32 48.34 5.11 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -142.5 119.54 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.733 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -81.55 113.99 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.13 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mtm -112.57 130.62 55.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mm -80.37 115.74 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 t -144.42 127.94 17.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -114.67 137.99 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 50.4 m-85 -119.83 -179.24 3.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.499 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 3.4 pm0 -107.68 151.62 41.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.06 -10.86 16.26 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.535 2.157 . . . . 0.0 112.623 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.08 48.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 111.249 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.499 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 9.4 tt -130.7 150.42 34.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.015 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.52 -174.88 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -78.89 -15.37 58.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.98 -58.66 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.52 -14.38 62.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.403 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -11.47 60.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.755 0.312 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.0 t -78.96 -54.43 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -69.48 -31.5 69.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.3 -54.81 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.649 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.532 HG13 ' HE3' ' A' ' 48' ' ' MET . 76.1 t -63.83 -39.19 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.616 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -61.88 -23.62 66.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.688 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.22 -43.6 27.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.532 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -83.77 -1.24 53.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.6 m -117.58 -19.92 9.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.6 m 58.93 92.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -123.34 -166.01 1.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.65 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 11.2 m-20 -93.34 14.45 18.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.608 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.0 m120 62.25 5.84 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.3 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 7.0 mt-10 -141.7 -5.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.626 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.92 150.46 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.43 138.75 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.01 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.536 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 4.9 p90 -164.92 130.78 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.607 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.585 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 1.3 m -105.14 118.85 37.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.571 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.518 ' HE1' HG21 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -89.79 166.79 13.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.504 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.502 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 56.9 mttt -143.9 103.32 4.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.716 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.562 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 11.5 p-90 -60.95 123.99 19.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.176 0.512 . . . . 0.0 111.353 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.539 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -67.87 144.94 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.903 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.535 ' H ' ' H ' ' A' ' 67' ' ' ASP . 3.5 m-20 -85.5 -172.92 4.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -68.01 -17.41 64.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -111.62 18.88 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.539 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 71.54 54.32 8.84 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.371 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.535 ' H ' ' H ' ' A' ' 63' ' ' ASP . 8.2 t70 -123.51 92.44 48.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 110.993 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HG3' HG13 ' A' ' 62' ' ' ILE . 32.3 Cg_exo -61.82 104.99 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.668 2.246 . . . . 0.0 111.881 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.5 t -111.82 152.26 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.975 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -44.78 125.43 4.97 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.45 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 71' ' ' VAL . 9.2 p -125.16 23.21 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.049 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -80.9 57.27 3.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.29 142.93 13.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.54 -30.86 71.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -23.34 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.88 -54.17 30.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tp -66.34 -25.69 66.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.983 0.42 . . . . 0.0 110.068 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -35.79 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.203 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -73.32 -23.83 60.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.858 179.346 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -74.1 -36.11 64.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.786 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.7 -45.1 72.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.716 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -36.72 81.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.406 HD23 HD21 ' A' ' 87' ' ' ASN . 0.4 OUTLIER -81.41 -20.52 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.707 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.65 -32.12 73.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -28.93 69.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.634 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.42 87.14 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.711 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.406 HD21 HD23 ' A' ' 83' ' ' LEU . 11.0 m-20 -164.72 135.86 4.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -58.58 -21.98 54.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.305 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -51.02 62.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.853 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.0 m 56.26 33.81 22.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.626 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.66 123.98 0.93 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -73.28 114.95 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.632 HD11 ' HD3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -117.88 145.65 44.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.63 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.562 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 15.4 mt -144.97 157.04 13.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.694 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 4.4 m-70 -116.71 107.18 14.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.689 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 61.8 t -77.51 123.41 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.585 ' HB2' ' O ' ' A' ' 58' ' ' THR . 69.4 m-85 -118.71 116.44 34.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.536 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 48.2 Cg_endo -68.82 114.99 3.73 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.412 2.075 . . . . 0.0 112.163 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.527 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 CA-C-O 120.187 -0.229 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.74 131.26 18.2 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.586 2.191 . . . . 0.0 112.432 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.15 59.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.51 70.18 1.02 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.69 -52.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.767 0.317 . . . . 0.0 110.857 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.517 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 2.2 pt20 -151.73 116.27 5.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.64 136.12 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -75.8 116.34 16.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 92' ' ' LEU . 90.7 t -126.04 139.97 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -128.85 108.32 10.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.6 163.06 23.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.492 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -136.32 79.79 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.667 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.54 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 45.8 t80 -83.69 100.4 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 56.77 29.48 16.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.78 37.32 5.28 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.583 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.2 OUTLIER -126.56 111.13 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.497 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -78.32 112.37 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.443 ' SD ' ' HB3' ' A' ' 26' ' ' ASP . 2.9 mpp? -114.98 111.78 21.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 29' ' ' ILE . 4.6 mp -79.86 97.43 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.041 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.2 t -127.98 138.75 52.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.832 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -116.54 145.82 43.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.371 . . . . 0.0 111.102 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.584 ' HB3' HD13 ' A' ' 36' ' ' ILE . 20.1 m-85 -128.41 -167.99 1.85 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.807 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -91.94 155.15 43.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.24 -15.89 52.19 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.436 2.091 . . . . 0.0 112.307 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 m -118.27 41.76 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.807 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.76 HG12 HD12 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -91.48 148.28 4.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.243 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.34 175.14 5.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.777 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -73.57 -34.27 65.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 5.4 pt-20 -56.61 -39.71 74.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.781 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . -84.69 -26.96 36.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.3 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.76 HD12 HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -66.98 -17.3 64.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 0.0 110.759 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -40.29 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.216 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.1 -20.66 59.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.401 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -78.14 -50.63 11.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 41' ' ' LEU . 79.1 t -64.62 -28.59 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.721 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.404 HH11 ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -77.27 -31.23 54.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.847 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -72.4 -29.13 63.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.173 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.428 ' H ' ' HG3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -91.21 -31.64 16.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.177 -179.659 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.7 t -87.36 -13.34 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.143 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.22 82.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -103.16 -173.61 2.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.68 15.55 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.526 179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.404 ' ND2' HH11 ' A' ' 46' ' ' ARG . 3.7 m120 58.01 24.02 10.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.951 179.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -162.74 5.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -76.76 151.41 36.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.068 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 56' ' ' LEU . 2.2 mm? -100.75 144.52 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -174.82 142.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.649 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -122.5 119.92 32.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.296 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.79 167.53 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.555 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.573 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 68.4 mttt -148.02 103.75 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.105 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.813 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 18.9 p-90 -61.99 120.38 10.69 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.33 0.586 . . . . 0.0 111.009 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.599 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -68.34 148.47 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.153 -179.502 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.605 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -81.15 -151.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.951 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' H ' ' HB3' ' A' ' 63' ' ' ASP . 8.6 pt-20 -85.95 -29.86 23.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.223 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.67 4.44 38.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.599 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 95.82 64.52 0.96 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.605 ' H ' ' H ' ' A' ' 63' ' ' ASP . 1.2 t0 -130.65 89.21 44.27 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.551 0.215 . . . . 0.0 111.233 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.573 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.6 Cg_exo -63.13 110.17 1.11 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.681 2.254 . . . . 0.0 111.808 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 42.6 t -110.23 138.66 46.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.496 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -52.44 110.01 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.423 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.776 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 7.4 p -95.7 26.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -79.49 45.41 0.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.1 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.04 143.69 23.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -43.72 98.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -22.47 62.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.776 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 1.2 tp10 -64.5 -61.26 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.468 HD12 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -62.78 -27.21 69.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.965 0.412 . . . . 0.0 110.053 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -33.79 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.999 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.04 -27.42 61.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.7 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.02 87.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.678 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -66.07 -40.65 91.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.497 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -30.86 69.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.263 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -30.09 58.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.309 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -69.33 -21.3 63.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.675 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.83 -41.27 81.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.609 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.6 mt -96.7 -2.25 44.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.442 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 t30 56.86 52.87 8.82 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.071 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -78.65 -7.33 57.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.612 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.26 -23.12 1.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.539 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.2 m 62.2 9.75 3.38 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.413 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -175.82 143.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.732 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.512 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -93.18 99.43 12.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.675 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.532 ' HB3' HG22 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -95.94 140.7 30.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.813 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 13.4 mt -144.43 157.02 14.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.503 ' NE2' HD12 ' A' ' 62' ' ' ILE . 5.9 m-70 -121.61 107.25 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 3.7 t -78.23 126.02 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.643 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' THR . 69.7 m-85 -120.55 122.63 28.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.387 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.47 131.93 19.73 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.527 2.151 . . . . 0.0 112.302 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.863 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -57.42 -57.94 1.06 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.66 2.24 . . . . 0.0 112.182 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mt 57.91 88.48 0.06 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.075 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.89 -57.65 5.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.298 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.513 ' HB3' ' HG3' ' A' ' 34' ' ' PRO . 72.8 m -152.92 21.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 110.318 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -75.65 115.11 14.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.753 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.413 HG23 ' CE2' ' A' ' 84' ' ' TYR . 7.4 p -71.93 137.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.212 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -79.77 114.65 18.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 92' ' ' LEU . 58.3 t -124.0 143.76 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.026 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.29 126.09 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.581 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.587 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.14 162.16 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.392 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 0.6 OUTLIER -142.39 71.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.269 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 36.1 t80 -86.25 105.63 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.043 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.658 ' HE ' ' HG3' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 53.04 32.96 13.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.05 44.7 4.68 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.74 109.13 8.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.725 0.297 . . . . 0.0 110.732 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.587 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -87.75 105.19 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.5 mtt -106.82 140.52 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.0 mm -86.13 109.91 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.62 125.58 29.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.823 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -114.36 137.92 51.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -119.65 -177.37 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.1 mt-10 -114.14 154.24 46.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.572 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 95.7 Cg_endo -78.74 40.04 0.87 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.517 2.145 . . . . 0.0 112.63 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -154.27 17.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 33' ' ' GLU . 3.8 tt -106.93 147.0 12.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.206 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.4 p -96.16 175.77 6.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -79.74 -17.29 53.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.22 -42.92 99.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.064 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.3 -16.32 67.07 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.614 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -67.38 -11.41 57.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.764 0.316 . . . . 0.0 111.071 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.5 t -77.52 -44.63 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 10.9 m-20 -75.02 -23.69 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.635 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.49 -43.08 51.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.672 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 41' ' ' LEU . 48.1 t -67.91 -36.32 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.945 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.589 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -77.56 -23.82 49.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.971 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.92 -37.04 70.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -30.86 31.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.24 -7.17 45.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.11 90.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.589 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 8.5 m-85 -121.97 -177.63 3.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.736 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.3 OUTLIER -87.77 9.46 21.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.509 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 59.94 8.24 1.37 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.631 179.245 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -140.65 -7.6 1.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.05 170.19 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.264 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.78 142.58 40.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -169.49 158.92 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.547 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -139.59 114.83 9.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.429 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.539 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 12.5 mtm -88.89 162.31 16.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 70' ' ' THR . 1.0 OUTLIER -139.4 104.28 4.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -179.717 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.547 ' N ' HG23 ' A' ' 94' ' ' ILE . 7.9 p-90 -69.27 142.14 54.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.515 HG23 ' HA2' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -81.4 136.0 23.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.511 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -73.87 -156.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.099 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' H ' ' HB3' ' A' ' 63' ' ' ASP . 10.3 mt-10 -78.12 -24.45 47.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -107.6 14.57 25.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.98 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.515 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 78.78 60.37 2.62 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.344 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.511 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -120.89 91.17 47.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.585 0.231 . . . . 0.0 111.112 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.443 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 28.0 Cg_exo -61.84 88.18 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.582 2.188 . . . . 0.0 111.671 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.49 150.16 24.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.836 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.445 ' N ' ' HD3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -46.27 130.19 10.45 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.588 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.616 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 7.4 p -118.37 33.36 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.518 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.33 49.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.164 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.613 ' HB2' ' HB2' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -153.41 134.53 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.767 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.57 -33.18 69.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -24.5 36.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.616 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -62.44 -56.99 12.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -65.61 -31.56 72.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.331 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -35.16 80.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.374 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.29 -27.02 61.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.852 179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.08 85.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.662 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.511 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 8.9 m-85 -64.12 -42.61 96.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.443 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -60.94 -27.98 68.61 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.579 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tp -81.93 -22.37 36.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.669 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.413 ' CE2' HG23 ' A' ' 17' ' ' VAL . 29.2 t80 -82.39 -22.92 35.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 81' ' ' PHE . 4.0 mm-40 -56.52 -30.67 63.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.13 -156.43 0.74 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.35 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 46.41 40.22 7.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.085 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.14 -84.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.86 104.56 3.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.741 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -63.94 -16.51 61.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 56.15 90.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.798 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -72.35 82.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 37.7 mt -99.08 98.25 9.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.547 HG23 ' N ' ' A' ' 61' ' ' TRP . 3.0 mt -95.01 147.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.539 ' O ' ' HA ' ' A' ' 59' ' ' MET . 14.7 m-70 -110.36 107.41 17.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.594 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 16.6 t -76.53 126.94 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.795 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.547 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.1 m-85 -117.58 127.63 26.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.658 ' HG3' ' HE ' ' A' ' 24' ' ' ARG . 57.1 Cg_endo -71.18 109.7 2.64 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.464 2.11 . . . . 0.0 112.27 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.981 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.98 143.83 95.46 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.609 2.206 . . . . 0.0 112.252 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.08 66.78 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.782 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.51 66.78 1.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.452 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.6 p -159.06 -52.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.592 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 6.7 pt20 -167.93 127.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.857 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 p -77.84 136.73 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.439 ' HG2' ' HG2' ' A' ' 91' ' ' GLU . 4.4 ttt180 -72.81 106.26 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.673 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 92' ' ' LEU . 82.6 t -116.06 144.83 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.051 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD3' HD11 ' A' ' 93' ' ' LEU . 0.4 OUTLIER -134.18 116.76 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.777 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.51 160.33 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.42 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 2.4 m-85 -140.42 77.0 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.47 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.572 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 16.5 t80 -83.41 102.94 12.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.823 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER 54.42 28.59 9.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.218 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.17 39.32 4.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.19 110.94 12.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.725 0.297 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -84.94 118.54 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 mtt -124.16 124.86 43.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.78 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mm -78.74 109.06 13.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.063 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.0 t -136.8 132.49 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 16' ' ' GLN . 3.7 m-70 -119.08 129.43 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.434 ' HE2' HG11 ' A' ' 19' ' ' VAL . 10.3 m-85 -113.91 143.28 44.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.18 146.14 88.88 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.747 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.62 -14.72 10.73 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.572 2.181 . . . . 0.0 112.553 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.5 m -107.2 59.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 111.19 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 tt -131.14 147.61 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.78 176.47 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -74.5 -29.1 61.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -57.71 -58.04 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.42 -20.43 78.29 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.451 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -64.44 -17.17 63.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.0 -47.62 28.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.469 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -67.81 -22.14 65.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.446 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -73.03 -55.18 6.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.685 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 41' ' ' LEU . 33.1 t -64.91 -21.79 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' NH1' HD22 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -81.74 -27.9 33.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.742 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.436 ' HB2' HH21 ' A' ' 46' ' ' ARG . 21.8 t70 -74.07 -34.29 63.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.055 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.44 ' CE ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -84.68 -28.13 26.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t -94.1 -15.22 24.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.063 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.8 t 58.38 93.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.411 ' HB2' ' CG ' ' A' ' 46' ' ' ARG . 15.9 m-85 -124.16 -165.51 1.37 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.91 13.0 26.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.436 HD22 ' NH1' ' A' ' 46' ' ' ARG . 4.8 m120 63.29 0.51 0.8 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.585 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.88 0.35 1.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.349 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.95 153.62 33.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.151 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.412 HD13 ' H ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -97.89 140.55 32.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.696 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.544 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 12.2 p90 -171.95 145.99 1.94 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -126.29 117.18 22.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.309 -179.771 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.47 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 10.3 mtm -89.85 163.75 14.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.491 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.519 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 89.6 mttt -143.58 102.97 4.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.77 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.717 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 19.7 p-90 -58.58 121.49 11.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.307 0.575 . . . . 0.0 111.282 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.601 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -68.2 147.65 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.164 -179.676 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.578 ' H ' ' H ' ' A' ' 67' ' ' ASP . 1.5 t0 -83.46 -164.02 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.656 ' HG3' ' HG2' ' A' ' 65' ' ' GLU . 16.2 pt-20 -77.12 -16.97 58.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.656 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 13.7 mm-40 -114.34 17.76 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.601 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 77.38 58.43 3.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.387 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.578 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -127.61 91.72 44.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.652 0.263 . . . . 0.0 111.073 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.519 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 27.8 Cg_exo -62.21 117.3 4.15 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.775 2.317 . . . . 0.0 111.833 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.56 144.22 48.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.772 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.473 ' HA ' ' HG2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -43.96 126.32 4.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.387 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.598 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 5.7 p -123.14 18.43 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.039 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.36 57.9 3.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.99 156.9 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.679 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -36.19 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -22.75 36.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.598 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -59.56 -58.02 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.715 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.69 -25.86 68.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.991 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.08 -33.66 73.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.105 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -22.94 54.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.808 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.2 -32.78 56.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.725 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -75.45 -37.69 60.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.477 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.2 mpp_? -66.91 -39.31 87.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.216 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -30.35 68.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.244 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -83.68 -17.36 41.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.663 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -41.94 69.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.24 3.3 46.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.7 m120 58.13 44.07 19.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.051 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -70.45 -19.98 62.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.62 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.21 -96.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.6 p -177.47 -61.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.791 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' HG2' ' HG2' ' A' ' 18' ' ' ARG . 2.0 mp0 -146.98 148.69 31.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.677 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.617 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.24 82.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.512 ' C ' HG13 ' A' ' 94' ' ' ILE . 3.1 mp -91.96 143.56 26.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.39 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.717 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 3.2 mt -141.71 158.69 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -114.24 107.04 15.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.552 179.697 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 15.8 t -78.06 118.11 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 58' ' ' THR . 65.3 m-85 -113.3 123.53 33.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.68 117.82 4.88 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.59 2.193 . . . . 0.0 112.236 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.141 0 CA-C-O 120.204 -0.22 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.81 -40.06 81.69 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.61 2.207 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.56 50.19 16.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.5 51.05 1.03 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.562 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 t -167.32 -41.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.686 0.279 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -140.85 158.87 43.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.222 -179.793 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -122.27 131.8 72.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.782 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -76.59 85.8 3.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.213 179.516 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 92' ' ' LEU . 10.0 t -109.2 150.19 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.635 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -140.47 125.3 18.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.534 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -85.1 167.91 15.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.004 0.431 . . . . 0.0 111.497 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.497 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 23.7 m-85 -141.64 75.95 1.52 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.245 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.609 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 23.2 t80 -83.54 100.93 11.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.057 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 52.86 36.71 22.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.213 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.84 51.28 3.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.96 108.18 4.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.309 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -81.29 116.06 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -113.59 136.71 52.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 mm -80.29 120.83 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t -148.4 124.55 10.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.371 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.534 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 1.9 m-70 -114.95 106.42 14.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 62.5 m-85 -88.49 -176.27 5.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 36' ' ' ILE . 2.1 mt-10 -113.7 151.76 44.91 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.766 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.34 21.19 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.579 2.186 . . . . 0.0 112.586 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.1 11.07 2.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 33' ' ' GLU . 8.8 tt -98.53 140.59 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.33 161.45 22.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 58.1 t80 -70.28 -24.96 63.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.763 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -57.2 -48.29 79.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.658 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.33 -17.33 80.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.113 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -66.72 -14.22 62.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 110.871 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 t -77.92 -40.9 38.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.461 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.413 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 3.3 m120 -74.35 -26.12 59.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.191 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.54 -31.37 57.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.609 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 41' ' ' LEU . 24.1 t -76.65 -42.45 34.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.97 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.503 ' NH1' HD21 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -69.21 -26.13 64.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.946 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.2 -38.3 56.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.435 ' HE2' ' HA ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -82.41 -20.13 37.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 t -102.14 -6.05 23.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.93 92.25 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -128.42 -170.32 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.727 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -89.87 16.12 8.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.795 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.503 HD21 ' NH1' ' A' ' 46' ' ' ARG . 5.0 m120 55.36 22.08 4.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.194 179.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -159.67 0.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 150.43 49.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 99' ' ' CYS . 3.1 tp -97.69 138.58 34.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.72 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -168.51 138.29 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -112.62 115.18 28.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.292 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.445 ' H ' ' HG3' ' A' ' 59' ' ' MET . 0.0 OUTLIER -100.06 148.41 24.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.031 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.523 ' HB3' ' C ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -132.7 115.39 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.34 179.751 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.799 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 19.1 p-90 -62.68 120.21 10.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.325 0.583 . . . . 0.0 111.678 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.521 HG13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -68.58 144.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.954 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.657 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -75.77 -156.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.012 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -81.4 -20.25 40.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.025 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -109.11 -2.79 17.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.499 ' C ' HG12 ' A' ' 62' ' ' ILE . . . 102.04 56.21 0.85 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.724 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.657 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 14.3 m-20 -121.41 93.76 48.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.587 0.232 . . . . 0.0 110.845 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.521 ' HG3' HG13 ' A' ' 62' ' ' ILE . 32.6 Cg_exo -61.85 110.09 0.91 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.647 2.231 . . . . 0.0 111.809 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.523 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 67.4 m -106.2 123.05 47.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.453 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 4.2 m -48.58 106.4 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.421 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.68 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.0 p -108.47 105.71 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.798 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.417 ' HA ' ' CE2' ' A' ' 38' ' ' PHE . 65.5 m -139.72 32.44 2.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.012 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 m -137.85 150.86 47.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -33.77 76.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.782 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -25.97 56.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.68 ' HB3' HG23 ' A' ' 71' ' ' VAL . 3.8 mm-40 -61.7 -51.9 66.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.716 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -67.64 -32.98 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.365 179.54 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.7 -36.87 79.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.074 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -72.74 -30.12 63.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.758 179.132 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -66.05 -39.91 90.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.403 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -69.69 -32.23 70.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.271 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.419 ' HD3' HH11 ' A' ' 82' ' ' ARG . 0.6 OUTLIER -71.65 -27.46 63.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.599 179.71 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.688 ' HA ' ' HB2' ' A' ' 86' ' ' LEU . 1.3 tp -77.95 -28.89 49.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.705 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.502 ' CE2' HG12 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -52.55 -40.73 62.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.941 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.72 -13.93 35.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.739 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.688 ' HB2' ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -71.42 -34.46 70.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.961 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -120.91 59.96 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.995 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.69 -91.13 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.17 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.23 62.13 1.58 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.941 0.4 . . . . 0.0 110.843 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.34 88.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.759 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -54.87 135.8 47.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.503 ' HB3' HG13 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -72.1 128.27 35.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.535 ' C ' HG13 ' A' ' 94' ' ' ILE . 73.5 mt -129.25 141.62 51.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.368 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.799 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 4.2 mt -142.06 157.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.025 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -116.48 107.47 14.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.568 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 27.6 t -78.95 117.19 24.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.011 0.434 . . . . 0.0 110.749 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 58' ' ' THR . 55.1 m-85 -112.38 126.5 28.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.15 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.68 148.59 47.29 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.598 2.199 . . . . 0.0 112.303 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.537 ' HB3' HD23 ' A' ' 56' ' ' LEU . 1.2 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.983 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.599 -0.2 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.77 71.21 6.64 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.587 2.191 . . . . 0.0 112.518 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.576 ' HG ' ' HB2' ' A' ' 16' ' ' GLN . 1.7 tt -117.92 116.01 26.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.739 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.47 -59.03 1.17 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.404 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -142.68 13.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.397 . . . . 0.0 110.777 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.576 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . 35.8 mt-30 -65.62 112.5 3.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.819 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.7 135.29 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.286 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 18' ' ' ARG . 17.4 mtm180 -80.61 111.17 16.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 92' ' ' LEU . 47.5 t -109.35 134.71 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.62 ' HD3' HD11 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -119.03 116.14 25.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.638 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.59 159.63 25.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.479 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.7 OUTLIER -137.71 74.43 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.538 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -83.72 118.02 23.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.324 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 51.04 25.05 2.1 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.75 42.69 5.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.663 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 7.4 m-20 -135.23 122.11 21.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.734 0.302 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -80.39 137.7 21.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.428 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -133.42 140.26 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.4 mm -89.39 101.45 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.255 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t -136.33 118.92 15.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.976 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.59 151.07 28.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.401 ' HB3' HG21 ' A' ' 36' ' ' ILE . 39.2 m-85 -128.72 160.45 32.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.976 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.672 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 2.8 pm0 -72.28 156.6 90.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.65 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.42 -2.0 8.35 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.409 2.073 . . . . 0.0 112.556 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.2 m -135.47 68.41 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.672 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 3.0 tt -134.34 149.66 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.9 164.55 11.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.801 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -68.73 -15.47 63.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -48.67 70.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.71 -15.35 75.69 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -71.23 -9.8 58.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.909 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.6 t -74.58 -49.09 23.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.669 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -74.31 -26.7 60.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.67 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -66.66 -51.53 55.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.624 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.644 HG13 ' HE3' ' A' ' 48' ' ' MET . 94.2 t -66.33 -34.31 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.617 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -73.4 -21.65 60.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.952 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -78.86 -35.07 44.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.279 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.644 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.04 -20.61 21.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.495 -179.5 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 t -104.6 -17.29 14.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.367 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.1 m 59.42 98.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.617 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 14.5 m-85 -120.76 -169.7 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -87.05 11.45 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m120 56.3 18.41 3.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.355 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.405 ' H ' ' H ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -168.43 0.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.121 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.405 ' H ' ' H ' ' A' ' 54' ' ' GLU . 3.9 pt20 -67.73 179.8 1.31 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.137 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.81 140.69 47.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.6 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 6.9 p90 -169.14 162.32 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.736 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.557 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -147.39 119.76 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 111.715 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.507 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 4.3 mtm -100.05 147.14 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.455 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.496 ' HB3' ' C ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -127.14 111.01 13.5 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.921 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.738 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 42.9 p-90 -59.39 121.3 11.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.262 0.553 . . . . 0.0 111.556 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.598 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -67.84 151.38 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.208 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.619 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -88.67 -159.28 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.037 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -75.74 -31.01 59.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.189 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.52 19.09 20.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.224 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.598 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 78.89 60.52 2.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.515 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.619 ' H ' ' H ' ' A' ' 63' ' ' ASP . 1.8 t0 -128.19 92.71 40.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.661 0.267 . . . . 0.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 62' ' ' ILE . 27.6 Cg_exo -62.64 127.73 21.5 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.847 2.364 . . . . 0.0 111.949 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.496 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 9.8 t -120.9 126.98 51.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.882 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.2 m -48.1 117.83 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.605 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.838 HG23 ' HB3' ' A' ' 76' ' ' GLU . 1.4 p -123.68 110.72 26.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.784 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -146.37 28.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 m -135.55 153.64 51.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 1.7 tt0 -63.05 -30.17 71.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.86 -26.94 33.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.838 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -59.51 -61.84 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -27.48 69.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 109.924 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 0.6 OUTLIER -65.14 -34.56 78.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.985 179.226 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -74.35 -27.4 60.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.757 179.248 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -72.56 -33.06 66.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.659 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -76.0 -37.32 58.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.702 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -66.09 -37.35 85.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.476 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 87' ' ' ASN . 7.7 mp -78.3 -24.74 46.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.469 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -64.78 -34.11 77.56 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.822 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.69 -36.99 75.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 mt -130.27 90.44 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.728 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 83' ' ' LEU . 4.4 t-20 -168.07 137.82 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.791 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -15.88 58.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.81 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.511 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 3.1 m-20 -67.16 -56.95 7.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.78 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 m 58.36 31.42 20.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 89' ' ' ASP . 8.2 pt-20 -162.89 116.82 1.68 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -76.13 108.35 8.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.716 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.62 HD11 ' HD3' ' A' ' 20' ' ' LYS . 2.0 mp -109.23 145.42 35.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.729 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.738 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 6.6 mt -143.41 155.42 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.773 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.507 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -112.09 107.23 16.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.7 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.8 t -76.64 125.25 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.326 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' A' ' 58' ' ' THR . 54.8 m-85 -124.3 92.35 48.26 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.347 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.6 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 83.0 Cg_endo -77.28 126.79 8.71 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.502 2.134 . . . . 0.0 112.381 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.825 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.86 -37.28 35.51 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.659 2.239 . . . . 0.0 112.281 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mt -128.21 8.2 6.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.55 51.74 3.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.387 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.69 -40.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.753 0.311 . . . . 0.0 111.074 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -145.47 114.25 6.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.204 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -77.53 144.38 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -75.78 117.18 17.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.848 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 92' ' ' LEU . 47.7 t -128.19 138.93 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -133.87 113.78 12.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -80.42 156.47 26.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.007 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.527 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 7.5 m-85 -131.51 82.57 2.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.784 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 30.2 t80 -83.58 99.4 10.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 56.91 26.53 11.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.987 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.38 38.51 3.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.57 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -127.83 109.31 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.703 0.287 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.454 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -79.81 110.85 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.528 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 3.2 tpp -111.08 125.75 54.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.661 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 mm -77.81 117.58 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.335 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 3.4 t -149.21 126.57 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.869 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -114.22 127.04 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.019 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -116.44 163.46 16.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -86.25 156.79 56.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.522 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -77.24 57.03 5.71 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.509 2.139 . . . . 0.0 112.579 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.29 27.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.824 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.515 HG13 ' N ' ' A' ' 37' ' ' SER . 1.1 tp -108.68 147.01 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.515 ' N ' HG13 ' A' ' 36' ' ' ILE . 1.7 p -102.26 -179.53 4.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -75.88 -30.22 58.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.22 -64.06 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.69 -22.42 69.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.398 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -69.75 -12.34 61.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.8 -42.01 28.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.537 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 67.3 m-80 -74.88 -24.7 58.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.532 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -75.31 -39.43 59.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.651 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.596 HG21 ' SD ' ' A' ' 59' ' ' MET . 55.8 t -71.51 -37.59 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.529 ' NH1' HD21 ' A' ' 53' ' ' ASN . 0.0 OUTLIER -74.5 -23.33 58.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 110.821 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.15 -29.72 43.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.528 ' SD ' ' HG2' ' A' ' 28' ' ' MET . 0.0 OUTLIER -91.21 -19.22 23.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.041 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.9 t -105.93 -7.19 18.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.7 t 58.79 92.29 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.484 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 9.3 m-85 -122.35 -170.05 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.681 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.63 12.49 18.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.529 HD21 ' NH1' ' A' ' 46' ' ' ARG . 5.0 m120 60.21 8.53 1.57 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.406 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -143.03 -10.14 0.77 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.716 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -56.84 149.86 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.28 136.27 40.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.811 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 11.3 p90 -169.73 146.48 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.835 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.8 m -127.61 122.08 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.539 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.596 ' SD ' HG21 ' A' ' 45' ' ' VAL . 1.8 mtm -99.42 153.97 18.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.724 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.496 ' HD3' HG23 ' A' ' 70' ' ' THR . 0.7 OUTLIER -134.14 118.64 17.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.68 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.761 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 20.9 p-90 -66.69 123.05 19.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.165 0.507 . . . . 0.0 111.218 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.563 HG12 ' N ' ' A' ' 67' ' ' ASP . 0.6 OUTLIER -72.34 151.54 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.319 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.632 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -86.49 -168.73 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.764 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 88' ' ' LYS . 1.3 tm-20 -77.28 -8.49 57.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -116.1 2.52 13.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.069 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.411 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 91.47 57.17 1.57 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.632 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -125.99 93.01 44.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.596 0.236 . . . . 0.0 111.069 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.483 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 20.6 Cg_exo -65.27 93.3 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.69 2.26 . . . . 0.0 111.826 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.486 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 7.8 m -92.71 129.7 38.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.687 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.496 HG23 ' HD3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -47.05 126.49 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.535 -179.535 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.595 HG23 ' HB3' ' A' ' 76' ' ' GLU . 9.8 p -118.19 29.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.326 0.584 . . . . 0.0 110.845 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -78.8 30.38 0.2 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.247 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 m -134.99 145.77 48.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.724 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -65.13 -30.88 71.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 0.3 OUTLIER -82.04 -21.06 37.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.979 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.595 ' HB3' HG23 ' A' ' 71' ' ' VAL . 33.4 mm-40 -65.56 -55.62 16.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.605 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.073 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.89 -35.68 81.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.311 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.94 -31.18 68.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.697 179.152 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.718 ' HB1' HD11 ' A' ' 92' ' ' LEU . . . -60.95 -40.32 92.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.344 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -71.17 -34.59 71.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -63.08 -31.28 72.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.347 179.722 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.437 HD13 ' OE2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -81.62 -27.79 34.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.705 179.709 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -66.53 -26.96 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -57.01 -45.7 82.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.588 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -91.57 -1.86 57.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.381 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.8 m120 57.96 72.95 0.49 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.412 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 14.7 mttm -103.09 8.95 38.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.307 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -155.37 -38.03 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.581 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.75 18.6 3.84 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.302 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -171.64 104.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.718 HD11 ' HB1' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -74.89 95.42 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.543 ' HB2' HG22 ' A' ' 62' ' ' ILE . 31.1 mt -96.66 145.4 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.586 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.761 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 10.4 mt -143.02 161.95 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.738 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 5.0 m-70 -125.67 107.58 10.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.69 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 46.7 t -76.45 123.23 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.375 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.9 m-85 -119.12 123.95 28.54 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.34 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.35 121.14 7.23 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.614 2.209 . . . . 0.0 112.233 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 12' ' ' PRO . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' A' ' 11' ' ' GLY . 46.9 Cg_exo -56.24 -39.13 93.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.692 2.262 . . . . 0.0 112.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.43 123.91 17.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.992 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.78 138.75 19.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.665 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.493 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 6.2 t 57.07 24.74 9.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.736 0.303 . . . . 0.0 111.104 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -141.15 82.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 110.963 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.79 129.11 36.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 35.4 ttp180 -72.07 108.26 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.801 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.547 HG22 ' HB3' ' A' ' 92' ' ' LEU . 94.5 t -120.45 135.26 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.724 ' HD3' HD11 ' A' ' 93' ' ' LEU . 7.6 mttt -118.82 120.41 37.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.52 155.9 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 1.1 m-85 -141.09 68.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . 28.7 t80 -83.66 110.18 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 54.81 22.01 3.93 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.91 29.19 7.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.361 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -114.24 112.32 22.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.633 0.254 . . . . 0.0 110.807 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -87.3 109.42 19.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.7 mtt -115.66 146.1 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.771 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mm -88.97 119.21 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.4 t -147.93 129.03 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 18' ' ' ARG . 2.9 m-70 -115.41 151.05 35.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -134.2 -175.72 3.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.5 pt-20 -113.46 154.28 45.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 15' ' ' SER . 73.0 Cg_endo -75.2 15.73 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.598 2.199 . . . . 0.0 112.589 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.75 -18.48 9.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 33' ' ' GLU . 7.0 tt -73.81 158.76 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.3 p -115.74 176.29 5.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -68.35 -25.12 64.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.59 -48.63 80.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.61 -16.14 79.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.352 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -15.76 61.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 110.815 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.5 t -74.77 -50.37 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.651 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -67.76 -21.93 65.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.585 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.89 -52.96 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.745 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.575 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 90.5 t -64.06 -30.03 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.825 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.424 ' NH2' ' HB2' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -75.31 -30.2 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.16 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 17.7 t70 -72.41 -31.54 65.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.133 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.575 ' HE3' ' HA ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -89.86 -35.56 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.28 -179.718 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -84.68 -13.49 51.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.065 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.89 89.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.013 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -122.22 -172.47 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.5 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -92.87 19.28 7.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.627 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m120 60.97 10.7 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.342 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -141.71 -8.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.957 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.86 147.53 14.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.239 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -98.49 137.81 36.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -172.18 138.42 0.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.986 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.533 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 4.1 m -117.91 118.86 33.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.258 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -99.5 147.64 25.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -127.08 113.66 16.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.309 179.841 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.676 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 24.8 p-90 -56.29 120.5 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.473 0.654 . . . . 0.0 111.729 -179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.529 HG12 ' HG3' ' A' ' 68' ' ' PRO . 6.0 mt -70.84 134.85 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.005 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.427 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -73.55 176.47 6.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.718 179.805 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -21.73 66.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -100.05 -9.21 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.473 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 102.41 57.87 0.79 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.35 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.427 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -131.02 88.06 46.69 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.613 0.244 . . . . 0.0 111.361 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.529 ' HG3' HG12 ' A' ' 62' ' ' ILE . 32.7 Cg_exo -59.31 98.46 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.531 2.154 . . . . 0.0 112.011 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.463 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 3.0 t -98.2 135.33 40.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -46.81 110.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.447 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.529 HG23 ' HB3' ' A' ' 76' ' ' GLU . 9.1 p -103.57 32.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.1 38.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.036 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.41 167.9 21.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -83.76 -33.37 25.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.39 -22.55 41.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.14 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.529 ' HB3' HG23 ' A' ' 71' ' ' VAL . 19.0 mm-40 -64.95 -52.89 53.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.912 0.387 . . . . 0.0 110.713 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.13 -25.86 65.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.11 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.95 -36.56 69.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.262 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.97 -28.13 65.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.887 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -70.6 -37.98 73.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.463 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -66.96 -42.29 85.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -33.81 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -68.09 -29.97 69.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.404 179.618 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -57.75 -36.54 72.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.999 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.67 -15.16 33.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -66.48 -29.97 70.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -125.06 -152.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.568 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -75.41 -37.31 60.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.794 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 90' ' ' SER . 0.5 OUTLIER -165.52 -49.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.76 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.515 ' HB2' ' O ' ' A' ' 89' ' ' ASP . 52.0 m 73.62 -31.25 0.22 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.576 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' A' ' 89' ' ' ASP . 6.6 mt-10 62.5 111.7 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.897 0.379 . . . . 0.0 111.231 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.547 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.55 95.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.724 HD11 ' HD3' ' A' ' 20' ' ' LYS . 1.4 mp -105.8 148.97 26.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.676 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 13.5 mt -145.19 149.91 16.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -109.1 107.38 17.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 33.8 t -78.9 122.17 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.648 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.533 ' HB2' ' O ' ' A' ' 58' ' ' THR . 54.4 m-85 -117.95 119.85 33.24 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.405 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.95 149.17 65.29 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.437 2.091 . . . . 0.0 112.153 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.7 174.68 11.86 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.55 2.166 . . . . 0.0 112.373 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD21 HG22 ' A' ' 29' ' ' ILE . 0.3 OUTLIER 58.44 95.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.088 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.26 -140.61 1.28 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.392 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.3 t -146.11 20.45 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.67 0.271 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 32' ' ' PHE . 60.8 tp60 -78.19 -86.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.15 124.67 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 2.0 mtt180 -72.84 108.27 5.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.774 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 6.3 t -116.18 136.01 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 93' ' ' LEU . 19.1 mtpt -127.92 117.55 21.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.742 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -86.81 161.86 18.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.169 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -129.24 83.12 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.57 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 55.3 t80 -83.79 98.98 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.771 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 57.84 27.18 14.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.032 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.74 44.59 3.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.693 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -136.76 113.95 10.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.6 107.01 13.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 mtm -107.83 128.66 54.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.525 HG22 HD21 ' A' ' 13' ' ' LEU . 16.7 mm -79.84 115.41 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 t -147.15 121.9 9.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -109.22 142.49 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.715 ' HB3' HG21 ' A' ' 36' ' ' ILE . 39.3 m-85 -122.05 134.0 54.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 36' ' ' ILE . 12.6 mt-10 -58.8 163.88 4.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.886 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -77.35 -0.1 10.28 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.395 2.063 . . . . 0.0 112.374 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.21 47.58 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.715 HG21 ' HB3' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -124.49 144.5 34.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.478 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -101.78 159.14 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.726 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.632 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 53.9 t80 -63.44 -22.89 67.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.775 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -51.86 68.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.781 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.53 -14.04 79.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.291 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.71 -10.54 47.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.086 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 t -76.04 -46.66 28.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.538 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -74.11 -26.12 60.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.521 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.58 -56.52 8.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.553 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 53.2 t -61.61 -36.32 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.546 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.468 HH21 ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -63.96 -28.42 69.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.638 179.587 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.468 ' HB2' HH21 ' A' ' 46' ' ' ARG . 23.4 t0 -73.55 -38.27 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.137 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.498 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -87.5 -11.43 48.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.222 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -106.61 -15.05 14.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.039 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 t 56.13 85.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -116.07 -172.92 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.655 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.49 17.51 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.415 HD22 ' NH1' ' A' ' 46' ' ' ARG . 4.2 m120 54.91 24.43 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.172 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -163.33 0.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.69 168.71 10.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.97 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' A' ' 99' ' ' CYS . 0.2 OUTLIER -115.93 140.07 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.681 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.51 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.3 p90 -169.36 137.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 2.1 m -112.7 117.44 32.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.366 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.466 ' SD ' HG22 ' A' ' 96' ' ' VAL . 0.9 OUTLIER -90.57 166.26 13.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.551 179.732 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 61.7 mttt -146.55 103.89 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.827 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.761 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 12.8 p-90 -62.87 126.77 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 0.0 111.209 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.752 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -67.65 146.84 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.149 -179.457 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.585 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -79.24 -162.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.973 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.507 ' HG2' HD22 ' A' ' 87' ' ' ASN . 5.0 mt-10 -81.49 -14.77 56.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.043 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.7 0.07 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.752 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 98.63 57.67 0.98 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.525 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.585 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -130.51 90.58 40.5 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.72 0.295 . . . . 0.0 111.13 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.506 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 36.2 Cg_exo -60.74 112.11 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.683 2.255 . . . . 0.0 111.819 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 1.7 t -112.21 145.4 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.936 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.483 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -43.67 118.38 1.38 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.498 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.748 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.7 p -115.99 27.67 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.941 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.75 49.09 1.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -155.04 146.07 22.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.741 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.632 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -66.27 -28.06 68.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.18 -24.67 34.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.288 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.748 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -62.1 -55.3 30.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.013 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.71 -29.3 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.054 0.454 . . . . 0.0 110.108 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.6 -35.31 79.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.344 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -72.55 -27.76 62.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.792 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.02 -26.98 61.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.735 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.14 -43.23 34.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 82' ' ' ARG . 1.6 ttp180 -65.3 -38.23 89.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.718 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mp -78.81 -20.96 48.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.71 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.409 ' HE1' ' N ' ' A' ' 91' ' ' GLU . 60.4 t80 -70.15 -29.62 66.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.015 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.78 -48.87 66.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.543 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 mt -119.7 90.23 3.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.974 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.507 HD22 ' HG2' ' A' ' 64' ' ' GLU . 5.9 t-20 -159.46 133.34 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -58.74 -18.06 28.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -95.21 87.66 4.93 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.419 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.03 52.16 1.91 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.84 0.352 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 3.2 tt0 -169.23 114.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.31 131.28 42.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.511 179.698 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.472 ' C ' HG13 ' A' ' 94' ' ' ILE . 43.8 mt -126.7 145.94 50.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.997 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.761 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 14.2 mt -145.59 160.89 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.463 ' N ' HG22 ' A' ' 94' ' ' ILE . 3.7 m-70 -122.58 107.23 11.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.608 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.742 HG23 ' HB1' ' A' ' 21' ' ' ALA . 57.5 t -78.01 126.43 38.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 58' ' ' THR . 57.5 m-85 -121.18 122.2 28.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.78 113.62 3.71 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.557 2.171 . . . . 0.0 112.377 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.51 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 14.2 t . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.768 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.33 -166.91 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.484 2.123 . . . . 0.0 112.225 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.1 mt -105.91 96.73 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.28 59.85 4.1 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.703 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.5 t -165.13 -50.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -149.53 103.9 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.768 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.1 133.09 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -74.52 112.96 11.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 92' ' ' LEU . 57.8 t -121.76 143.93 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.194 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.874 ' HD2' HG13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -128.22 118.73 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.641 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.73 157.52 25.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -141.93 81.82 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.479 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 1.5 t80 -83.13 79.61 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.601 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 24' ' ' ARG . 3.4 ttt180 58.73 25.33 13.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.784 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.86 16.99 4.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.556 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -107.72 97.25 7.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.596 HG22 ' HG2' ' A' ' 20' ' ' LYS . 1.2 mt -84.1 92.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 mtt -104.02 122.82 46.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.013 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.874 HG13 ' HD2' ' A' ' 20' ' ' LYS . 2.8 mp -78.76 122.01 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -146.94 135.95 22.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.672 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -116.58 130.27 56.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.349 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -122.19 179.05 4.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.74 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.13 147.03 93.29 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.753 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.37 -7.32 18.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.463 2.109 . . . . 0.0 112.283 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m -117.64 31.81 6.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 37' ' ' SER . 0.6 OUTLIER -77.62 150.0 5.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.154 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -116.74 164.17 15.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.05 -22.83 67.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.6 -37.45 70.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.39 -25.09 44.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.885 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -12.1 60.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.319 . . . . 0.0 111.076 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.7 -42.03 43.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.579 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -79.88 -27.03 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.537 179.712 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.47 -45.14 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 48' ' ' MET . 48.3 t -66.18 -41.42 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.966 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.63 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -70.32 -21.37 62.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.778 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -80.09 -31.63 39.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -92.21 -12.1 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.213 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.9 t -116.16 -7.0 11.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.242 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.47 90.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.63 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 5.3 m-85 -114.76 -168.46 1.38 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.89 10.56 34.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.789 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.449 HD22 ' NH1' ' A' ' 46' ' ' ARG . 4.2 m120 55.94 27.29 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.874 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -163.0 0.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.76 167.16 21.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.036 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -104.27 143.83 32.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 13.2 p90 -176.03 149.99 0.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.602 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 2.2 m -132.86 116.1 16.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.432 . . . . 0.0 111.467 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.498 ' HG2' HG13 ' A' ' 96' ' ' VAL . 20.1 mtm -101.88 149.73 23.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.711 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.556 ' HB3' ' N ' ' A' ' 70' ' ' THR . 0.0 OUTLIER -135.03 114.16 12.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.691 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 31.7 p-90 -61.5 124.23 20.06 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.401 0.62 . . . . 0.0 111.746 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.529 HG23 ' HA2' ' A' ' 66' ' ' GLY . 1.9 mp -68.15 136.62 26.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.267 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -75.97 -155.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.676 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -30.33 24.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.249 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.42 15.65 25.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.238 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.529 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 79.16 61.66 2.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.136 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 11.6 m-20 -130.54 88.21 47.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.57 0.224 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HB3' ' HB2' ' A' ' 95' ' ' HIS . 35.1 Cg_exo -57.97 98.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.611 2.207 . . . . 0.0 111.738 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.532 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 17.5 m -100.11 130.14 46.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.556 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -44.91 118.64 1.7 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.613 -179.45 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.814 HG21 HD12 ' A' ' 77' ' ' LEU . 9.4 p -97.18 32.79 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.221 0.534 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.04 49.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.816 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.84 142.06 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.665 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -65.68 -30.68 71.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.063 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.14 -20.0 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.02 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -64.84 -55.13 21.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.814 HD12 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -65.04 -31.43 72.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.407 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -36.23 82.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.33 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 1.7 pt-20 -71.06 -27.62 63.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.121 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.39 80.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.69 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -63.77 -37.06 85.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.671 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 82' ' ' ARG . 11.1 ttt-85 -66.64 -27.33 67.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.466 ' HA ' ' HB2' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -80.39 -23.7 40.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.804 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.437 ' HE1' ' N ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -53.87 -61.81 2.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.133 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.51 -19.31 62.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -64.54 -23.27 67.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.788 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -134.91 18.35 3.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.43 83.99 0.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.03 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.409 ' HA ' ' CD2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER 57.18 84.28 0.1 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.06 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.18 3.7 54.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.98 109.39 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.309 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -77.17 93.88 4.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.746 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.496 ' C ' HG13 ' A' ' 94' ' ' ILE . 1.4 mp -100.58 151.86 21.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.691 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 8.7 mt -146.2 151.76 14.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.761 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -111.1 107.2 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.578 179.645 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.663 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 13.1 t -82.71 121.96 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.602 ' HB2' ' O ' ' A' ' 58' ' ' THR . 76.4 m-85 -117.04 136.18 23.25 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.108 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.435 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 87.6 Cg_endo -80.55 156.68 21.76 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.569 2.18 . . . . 0.0 112.084 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 3.6 m . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 CA-C-O 120.206 -0.219 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.549 ' HG2' HD23 ' A' ' 13' ' ' LEU . 56.4 Cg_endo -70.98 -34.61 10.27 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.549 2.166 . . . . 0.0 112.505 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.549 HD23 ' HG2' ' A' ' 12' ' ' PRO . 2.3 pt? -138.0 168.26 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.994 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.3 -149.29 2.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.586 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.579 ' O ' ' HB3' ' A' ' 31' ' ' HIS . 4.2 p -143.61 -105.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.505 0.193 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.609 ' HG3' ' HA ' ' A' ' 33' ' ' GLU . 87.9 mm-40 53.83 -96.42 0.06 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.687 0.279 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -111.45 123.86 67.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.849 0.357 . . . . 0.0 110.843 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -73.16 123.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.777 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 92' ' ' LEU . 66.2 t -128.24 142.45 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -129.07 115.48 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.773 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.6 156.19 26.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 2.3 m-85 -130.52 78.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.75 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 31.5 t80 -83.42 102.38 12.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.46 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.555 ' HD3' ' HG3' ' A' ' 98' ' ' PRO . 48.2 mtm180 60.42 25.81 15.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.974 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.59 35.16 6.29 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.593 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.53 114.02 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.52 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -80.83 128.17 38.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.083 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 mtm -130.46 130.02 43.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mm -77.75 109.85 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 t -140.25 126.65 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.579 ' HB3' ' O ' ' A' ' 15' ' ' SER . 2.3 m-70 -114.36 151.91 32.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.961 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -130.42 -125.2 0.21 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.991 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.609 ' HA ' ' HG3' ' A' ' 16' ' ' GLN . 1.1 pt-20 -146.92 160.12 41.32 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.796 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 33' ' ' GLU . 72.6 Cg_endo -77.36 31.64 0.43 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.566 2.177 . . . . 0.0 112.617 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.2 33.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.833 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.541 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 2.8 tp -98.67 144.0 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 36' ' ' ILE . 96.7 p -104.82 176.48 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.796 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -71.38 -26.35 62.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.824 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -46.4 90.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.0 -24.07 58.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.654 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -10.37 59.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -40.93 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -78.41 -25.54 46.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.632 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.05 -39.56 60.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.523 HG21 ' SD ' ' A' ' 59' ' ' MET . 42.5 t -70.6 -37.97 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -20.54 57.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.06 -29.83 34.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.515 ' HE3' ' HA ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.14 -31.71 16.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.993 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t -84.84 -5.84 59.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.7 t 57.16 90.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -121.16 -171.01 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -89.71 14.26 12.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.464 HD22 ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 54.41 27.37 8.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.156 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -165.58 4.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.09 170.4 16.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.232 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.49 138.4 50.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -167.77 150.77 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -129.0 119.18 23.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.538 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.523 ' SD ' HG21 ' A' ' 45' ' ' VAL . 12.2 mtm -91.6 168.3 11.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.916 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.504 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -147.6 102.99 3.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.795 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 17.4 p-90 -56.04 120.17 7.04 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.387 0.613 . . . . 0.0 111.632 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 93' ' ' LEU . 5.1 mt -70.1 141.14 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.477 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -81.61 -164.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.82 -20.61 45.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -110.84 17.89 20.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.037 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.498 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 78.85 60.21 2.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.315 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.477 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -131.17 86.09 52.2 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.618 0.247 . . . . 0.0 111.58 -179.678 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.3 Cg_exo -63.74 117.76 4.73 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.615 2.21 . . . . 0.0 111.56 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 71.2 m -118.12 143.72 46.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.021 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.466 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 6.5 p -49.09 107.55 0.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.601 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.578 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.9 p -98.5 25.55 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.716 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.6 m -80.82 59.36 3.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.34 144.25 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.796 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -65.24 -29.22 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -28.94 37.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.578 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -61.26 -51.48 68.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.698 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.448 HD12 ' CG2' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -67.82 -27.61 66.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.151 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.17 -35.04 79.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.166 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -73.97 -30.01 62.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.761 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.01 95.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.694 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.404 ' CE2' HD23 ' A' ' 77' ' ' LEU . 21.8 m-85 -70.11 -36.17 74.65 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.505 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -27.93 69.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.274 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.64 -32.88 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.432 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -66.58 -15.88 63.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.852 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.55 -35.53 70.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.624 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.24 -3.03 29.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.519 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.3 m120 57.69 74.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.25 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.25 13.87 28.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.499 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -154.4 -25.11 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.566 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.17 6.2 2.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.431 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -177.23 132.03 0.17 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.93 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.498 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -75.3 120.66 21.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 179.712 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.5 ' HB3' HD12 ' A' ' 62' ' ' ILE . 88.6 mt -112.03 146.57 37.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.972 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.795 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 15.6 mt -146.93 158.57 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.639 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.485 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -118.66 106.7 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.713 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 42.9 t -78.72 121.9 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.914 0.387 . . . . 0.0 110.961 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.537 ' HB2' ' O ' ' A' ' 58' ' ' THR . 55.6 m-85 -117.87 130.65 24.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.555 ' HG3' ' HD3' ' A' ' 24' ' ' ARG . 79.5 Cg_endo -78.43 130.92 10.25 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.568 2.179 . . . . 0.0 112.243 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.047 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.499 ' O ' HD12 ' A' ' 13' ' ' LEU . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.35 -32.48 89.53 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.674 2.25 . . . . 0.0 112.213 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 11' ' ' GLY . 0.3 OUTLIER 60.24 -177.52 0.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.73 45.22 0.2 Allowed Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.318 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -164.63 -40.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.671 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.467 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -142.75 158.2 43.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.718 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -103.53 131.7 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.063 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 4.1 mtm180 -76.98 77.34 3.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.0 0.429 . . . . 0.0 109.938 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 92' ' ' LEU . 85.7 t -92.98 135.92 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.541 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.518 ' HB3' HG22 ' A' ' 27' ' ' ILE . 14.7 mttm -127.7 113.88 16.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.48 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -82.49 158.28 23.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.307 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -129.98 73.78 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.49 179.79 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.514 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . 25.8 t80 -83.8 115.73 22.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.846 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 55.93 24.65 7.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.86 46.2 5.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.354 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 3.6 t0 -140.47 122.78 15.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.749 0.309 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.518 HG22 ' HB3' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -83.43 121.54 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.093 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -117.72 128.18 54.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.0 mm -78.28 118.66 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.95 119.27 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 18' ' ' ARG . 3.4 m-70 -120.71 130.04 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.461 ' CE1' HG21 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -135.18 161.43 35.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.7 149.66 40.63 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.96 -23.94 33.92 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.555 2.17 . . . . 0.0 112.391 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.9 57.86 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 tt -133.44 146.51 31.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.76 168.1 10.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -62.39 -30.26 71.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -43.82 78.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.711 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.17 -24.34 76.58 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.426 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -10.42 57.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -45.16 25.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.577 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -74.77 -25.2 58.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.647 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.02 -57.22 4.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.782 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.462 HG13 ' HE3' ' A' ' 48' ' ' MET . 95.0 t -59.69 -30.46 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.644 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -79.49 -26.81 41.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.17 -29.62 61.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.462 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -89.98 -36.7 14.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -84.9 -15.9 42.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.01 -179.856 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.38 94.59 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.644 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 44.1 m-85 -115.72 -172.84 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.519 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.71 17.77 5.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.654 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 m120 56.97 22.81 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.909 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -160.71 -0.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.3 tm0? -70.1 146.96 50.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.78 140.74 33.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.009 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -169.31 134.07 1.46 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.678 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.9 m -111.17 119.05 37.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.464 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 96' ' ' VAL . 17.9 mtm -96.84 160.69 14.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.817 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.502 ' HB3' ' N ' ' A' ' 70' ' ' THR . 0.0 OUTLIER -139.0 111.38 7.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.676 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.684 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 15.5 p-90 -60.01 121.64 12.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.321 0.581 . . . . 0.0 111.775 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.458 ' CG2' ' HA2' ' A' ' 66' ' ' GLY . 5.4 mt -69.86 135.1 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.85 -167.86 1.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -78.13 -19.19 54.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.079 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -107.49 15.4 24.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 76.94 60.48 2.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.032 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.59 87.63 49.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 N-CA-C 111.536 0.198 . . . . 0.0 111.536 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.49 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 37.3 Cg_exo -60.82 95.3 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.414 2.076 . . . . 0.0 111.817 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.45 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 40.1 t -88.96 124.97 34.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.965 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.502 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -47.79 113.74 0.77 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.549 -179.673 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.674 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.6 p -111.7 122.0 65.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.65 42.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.93 152.3 32.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -63.26 -29.57 70.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.69 -31.55 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.799 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.674 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -57.67 -56.24 24.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.42 HD12 HG21 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -65.68 -31.93 73.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.866 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 1.2 tp10 -61.06 -37.19 81.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.027 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -72.16 -28.31 63.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.729 179.302 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -69.32 -27.99 65.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.396 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -80.68 -41.62 23.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.408 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 82' ' ' ARG . 3.5 ttm180 -61.97 -41.43 98.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.624 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 87' ' ' ASN . 4.6 tp -76.9 -26.51 54.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.509 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.41 ' HE1' ' HA ' ' A' ' 90' ' ' SER . 18.0 t80 -59.34 -40.96 88.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -59.07 -55.04 40.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.929 0.395 . . . . 0.0 110.289 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.1 tp -99.18 82.69 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.961 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' ' 83' ' ' LEU . 13.4 t-20 -156.32 133.67 10.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -56.03 -22.24 26.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.597 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -84.67 -162.69 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.244 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.41 ' HA ' ' HE1' ' A' ' 84' ' ' TYR . 5.9 p -173.07 41.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.705 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -165.57 139.59 4.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.985 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -90.61 105.17 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.497 ' C ' HG13 ' A' ' 94' ' ' ILE . 82.3 mt -95.12 146.56 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.785 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.684 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 9.8 mt -146.68 157.35 10.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -118.92 106.91 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.422 179.633 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.54 HG23 ' HB1' ' A' ' 21' ' ' ALA . 43.4 t -78.4 126.06 38.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.874 0.369 . . . . 0.0 111.151 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.54 ' HB2' ' O ' ' A' ' 58' ' ' THR . 56.9 m-85 -122.01 119.63 28.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.231 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.19 154.31 66.14 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.43 2.087 . . . . 0.0 112.041 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.889 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.152 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.7 -16.31 33.61 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.58 2.187 . . . . 0.0 112.371 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 55.29 39.1 31.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.077 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.3 142.92 15.63 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m 59.94 14.74 4.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.719 0.295 . . . . 0.0 111.279 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -153.4 89.5 1.35 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.134 179.833 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.01 132.2 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HE ' ' HB2' ' A' ' 18' ' ' ARG . 6.9 ttm180 -77.39 110.23 11.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.756 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 46.0 t -121.36 133.06 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.481 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -128.28 112.65 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 179.68 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -82.07 159.88 23.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.388 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 14.0 m-85 -130.65 81.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.657 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 14.1 t80 -83.81 100.41 10.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.756 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.52 ' HD2' ' HG3' ' A' ' 98' ' ' PRO . 0.3 OUTLIER 55.21 31.49 16.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.077 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.16 50.54 2.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.606 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -145.64 109.53 4.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.686 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.496 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -77.58 115.42 19.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.321 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.0 mtt -109.6 123.45 49.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -78.57 112.55 16.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.279 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 t -149.23 128.69 13.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -113.93 154.71 27.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.044 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.519 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 37.2 m-85 -138.98 -172.05 3.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.764 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -106.09 149.83 38.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.679 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.71 -4.97 6.48 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.622 2.214 . . . . 0.0 112.52 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.86 56.38 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 37' ' ' SER . 3.2 tp -123.24 143.98 34.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.463 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -94.53 161.05 14.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.741 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -70.82 -30.45 66.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.53 -42.12 87.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.005 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.4 -15.16 81.75 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -9.7 52.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.319 . . . . 0.0 111.001 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.04 -47.55 20.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.61 -25.57 59.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.726 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.61 -53.95 16.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.474 HG13 ' HE2' ' A' ' 48' ' ' MET . 85.4 t -64.33 -34.33 68.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.631 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.483 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -72.41 -24.45 61.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.775 179.788 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -78.64 -34.31 46.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.474 ' HE2' HG13 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.7 -24.68 26.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 75.9 m -97.92 -15.91 19.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m 59.78 100.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.483 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 28.6 m-85 -129.9 -165.19 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -101.26 14.37 32.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.808 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m120 61.79 8.87 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.44 179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -138.23 -1.74 1.9 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.521 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.04 146.8 52.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.898 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.44 143.47 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.684 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -171.85 150.44 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.971 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -129.13 115.96 18.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.493 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -89.05 160.37 17.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.673 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 13.5 mttt -138.9 102.91 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.786 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.692 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 9.2 p-90 -63.37 126.85 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.252 0.549 . . . . 0.0 111.512 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.616 HG13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -68.11 140.54 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.737 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.627 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.9 OUTLIER -75.44 -149.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.002 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.09 -35.85 36.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.01 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.22 13.82 33.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.118 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.563 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 86.64 61.22 1.63 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.699 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.627 ' H ' ' H ' ' A' ' 63' ' ' ASP . 2.7 m-20 -124.07 89.69 51.49 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.7 0.286 . . . . 0.0 110.893 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.616 ' HG3' HG13 ' A' ' 62' ' ' ILE . 36.5 Cg_exo -57.97 115.37 2.48 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.705 2.27 . . . . 0.0 111.814 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.3 t -117.75 139.15 51.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.473 ' OG1' ' HE2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -56.74 109.22 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.373 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.527 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.3 p -105.73 104.84 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 p -132.06 38.43 3.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -146.38 144.25 29.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -63.4 -28.05 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 2.9 tt -82.26 -28.81 31.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.527 ' HB3' HG23 ' A' ' 71' ' ' VAL . 4.1 mm-40 -60.8 -48.22 82.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.18 -32.62 72.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.225 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -38.8 92.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.296 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.02 -28.05 64.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.058 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 84' ' ' TYR . . . -64.72 -36.97 86.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.539 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -69.82 -43.11 72.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.626 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -63.11 -35.54 80.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.813 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 87' ' ' ASN . 1.5 tp -82.14 -23.55 35.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.508 ' HB3' ' O ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -81.86 -26.61 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.683 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -46.23 80.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.28 65.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 83' ' ' LEU . 1.6 t-20 -136.17 -152.62 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.77 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.16 -34.27 3.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.753 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 1.9 m-20 -62.34 -41.41 98.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 m 58.82 36.1 24.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 89' ' ' ASP . 10.0 pt-20 -166.8 132.06 2.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -76.94 113.3 14.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.482 ' C ' HG13 ' A' ' 94' ' ' ILE . 65.4 mt -108.87 145.64 35.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.973 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.692 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 12.4 mt -146.95 158.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.477 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.566 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 4.0 m-70 -118.69 106.9 13.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.74 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 67.8 t -77.06 124.34 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.985 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.565 ' HB2' ' O ' ' A' ' 58' ' ' THR . 64.7 m-85 -117.92 124.63 28.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.52 ' HG3' ' HD2' ' A' ' 24' ' ' ARG . 38.3 Cg_endo -65.7 146.35 83.72 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.517 2.145 . . . . 0.0 112.223 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.418 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.154 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.2 167.38 11.02 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.568 2.179 . . . . 0.0 112.268 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 17' ' ' VAL . 1.9 mt 54.82 -159.41 0.18 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.023 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.1 -23.4 0.53 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.228 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 p -150.4 17.44 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.699 0.285 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -169.33 90.1 0.21 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.007 0.432 . . . . 0.0 111.187 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.521 HG13 HG23 ' A' ' 19' ' ' VAL . 11.0 p -73.11 141.65 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.52 107.18 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.666 HG22 ' HB3' ' A' ' 92' ' ' LEU . 91.8 t -125.44 140.68 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.817 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 93' ' ' LEU . 6.0 mtpt -130.23 120.27 24.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.819 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.526 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -82.11 164.49 21.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.28 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 0.7 OUTLIER -139.52 76.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.632 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.586 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 25.3 t80 -83.74 114.28 21.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 2.9 ptt85 53.8 12.82 0.45 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.709 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.89 41.96 1.75 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.642 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -136.74 122.47 19.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 110.798 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -82.23 127.69 39.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.446 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 1.7 mpp? -122.0 131.21 53.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.759 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.7 mm -83.24 112.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 t -147.23 132.76 18.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -118.16 134.5 54.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 31.3 m-85 -118.54 172.25 7.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.73 155.5 75.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.692 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.59 -12.25 27.32 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.516 2.144 . . . . 0.0 112.383 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 p -123.68 70.92 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.668 HG12 HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -124.92 147.35 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.68 163.55 13.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -63.63 -25.06 68.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.83 -58.47 7.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.78 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.13 -27.75 73.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.419 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.668 HD12 HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -66.2 -15.35 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.754 0.312 . . . . 0.0 110.765 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.25 -54.79 9.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.556 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.435 ' HB3' ' NH2' ' A' ' 46' ' ' ARG . 35.0 m-80 -66.01 -23.97 66.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.496 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.16 -57.04 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.48 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.527 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 89.9 t -62.33 -28.0 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.615 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.435 ' NH2' ' HB3' ' A' ' 43' ' ' ASN . 3.2 ttp180 -71.73 -34.53 69.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.837 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -32.73 67.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.91 -20.17 29.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.154 -179.806 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -97.87 -9.98 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.7 t 56.76 86.05 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -119.55 -174.44 2.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.662 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 0.6 OUTLIER -89.69 12.58 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.696 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.422 HD21 ' NH1' ' A' ' 46' ' ' ARG . 5.0 m120 61.84 9.65 3.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.255 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 3.3 mt-10 -139.24 -7.69 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.71 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.11 153.55 33.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.589 ' HB3' ' HB3' ' A' ' 99' ' ' CYS . 0.2 OUTLIER -103.92 140.77 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 7.3 p90 -168.29 144.71 3.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.522 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -122.9 118.02 26.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.737 -179.623 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.51 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 39.8 mtm -89.2 167.99 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.719 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.497 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 2.8 mttm -148.62 102.81 3.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.729 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.704 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 21.6 p-90 -54.32 117.5 3.34 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.455 0.645 . . . . 0.0 111.405 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 93' ' ' LEU . 10.3 mt -71.32 134.56 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.302 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.15 -162.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -39.84 50.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.252 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -92.12 13.81 17.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.252 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.517 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 82.85 63.82 1.72 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.308 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.82 81.77 66.31 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.564 0.221 . . . . 0.0 111.488 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.706 ' HG3' HG12 ' A' ' 62' ' ' ILE . 38.2 Cg_exo -59.87 115.75 2.83 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.549 2.166 . . . . 0.0 111.745 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 65.9 m -117.26 143.24 46.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.044 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -53.55 121.27 7.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.374 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.828 HG21 HD12 ' A' ' 77' ' ' LEU . 11.0 p -105.59 41.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.412 0.625 . . . . 0.0 111.096 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.0 p -81.34 30.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.897 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.6 138.01 25.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.676 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -62.3 -32.22 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 0.6 OUTLIER -72.17 -28.92 63.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.952 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.529 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -63.51 -45.89 88.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.002 0.429 . . . . 0.0 110.4 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -69.08 -28.22 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.036 179.418 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -38.42 74.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.417 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.6 -27.46 65.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.195 0.522 . . . . 0.0 109.975 179.45 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.498 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -68.63 -46.15 69.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.887 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -58.79 -41.68 87.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.617 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 82' ' ' ARG . 1.5 mtm-85 -65.81 -29.19 69.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.91 -34.14 77.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -53.38 -49.65 66.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.992 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -94.93 38.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -157.23 25.46 0.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.01 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -166.34 32.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 mttt 56.11 79.36 0.17 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.998 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 49.92 72.82 0.29 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.39 87.92 7.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.775 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.36 122.9 6.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.949 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.666 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -71.7 99.8 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.324 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 62' ' ' ILE . 74.0 mt -104.85 154.56 19.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.704 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 7.7 mt -147.24 156.94 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.406 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -118.93 106.68 12.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.613 179.762 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.7 t -78.61 123.47 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 58' ' ' THR . 53.1 m-85 -119.45 129.59 25.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.93 114.64 3.97 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.589 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 3.4 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 CA-C-O 120.202 -0.221 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -59.91 -39.98 66.67 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.667 2.244 . . . . 0.0 112.382 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 tt 56.08 84.23 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.967 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.55 -63.27 4.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.452 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -146.94 20.39 1.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -64.19 111.73 2.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.22 129.01 35.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.187 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -74.78 117.78 17.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.745 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 92' ' ' LEU . 40.0 t -124.95 141.36 45.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -127.63 119.98 27.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.739 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 28' ' ' MET . . . -81.89 142.82 32.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 6.0 m-85 -121.51 75.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.312 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 1.1 t80 -83.35 113.69 20.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.364 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.16 21.04 4.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.249 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.83 44.13 3.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.575 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.58 122.17 16.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 0.0 110.575 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.548 HG22 ' HB3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -73.85 142.52 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.572 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -136.48 135.0 38.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.692 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.4 mm -83.2 110.8 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -148.54 127.29 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -117.97 149.7 40.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.436 ' HE1' ' HG3' ' A' ' 44' ' ' GLU . 97.6 m-85 -135.07 164.63 27.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -90.31 151.79 44.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.672 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.05 -25.63 13.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.637 2.225 . . . . 0.0 112.627 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.23 57.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.01 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 37' ' ' SER . 5.2 tp -117.13 147.95 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.037 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.666 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -107.65 160.7 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.48 -33.32 75.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.666 ' HG2' ' HB2' ' A' ' 37' ' ' SER . 1.2 pt-20 -56.46 -51.33 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.54 -20.63 78.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.366 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.88 -16.99 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.352 . . . . 0.0 110.711 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -81.18 -44.02 18.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.666 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 72.8 m-20 -69.12 -27.08 65.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.333 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.436 ' HG3' ' HE1' ' A' ' 32' ' ' PHE . 13.2 mm-40 -75.47 -38.63 59.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.611 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.678 HG13 ' HE3' ' A' ' 48' ' ' MET . 27.9 t -71.04 -40.85 76.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' HA ' ' HD2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -72.9 -22.47 60.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.91 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 26.8 t70 -76.49 -41.49 46.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.678 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -79.08 -29.58 43.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.002 -179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.5 t -86.67 -6.18 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.98 88.58 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.467 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 6.3 m-85 -119.35 -168.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.678 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.63 14.89 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.423 . . . . 0.0 110.841 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.7 m120 54.95 21.42 3.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.18 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.41 ' H ' ' H ' ' A' ' 55' ' ' GLN . 7.0 tt0 -163.51 0.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.812 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.41 ' H ' ' H ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -65.77 159.82 24.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 -179.543 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.5 140.35 38.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.808 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.629 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 9.4 p90 -169.1 137.45 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 18.8 m -113.8 122.95 48.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.355 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.522 ' CE ' HG21 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -97.43 165.14 12.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.615 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.512 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -142.6 110.08 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.589 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.718 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 14.8 p-90 -59.32 124.05 18.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.317 0.579 . . . . 0.0 111.708 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.568 HG23 ' HA2' ' A' ' 66' ' ' GLY . 12.8 mt -68.01 131.72 33.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.663 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -70.55 -160.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.615 ' HG2' HD22 ' A' ' 87' ' ' ASN . 1.2 mt-10 -84.78 -15.98 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.982 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -115.7 19.04 15.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.183 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.568 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 77.41 59.57 3.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.308 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.663 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 7.3 m-20 -130.44 82.2 65.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.573 0.225 . . . . 0.0 111.023 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.536 ' HB3' ' HB2' ' A' ' 95' ' ' HIS . 53.1 Cg_exo -55.46 97.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.508 2.138 . . . . 0.0 111.847 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.432 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 44.6 t -94.89 133.97 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.747 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.38 110.12 0.16 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.626 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.622 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.2 p -101.33 29.11 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.433 ' HB3' HG23 ' A' ' 58' ' ' THR . 88.6 p -82.12 55.86 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.857 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.63 154.69 24.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.806 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -42.49 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -18.0 60.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.622 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 1.1 tp10 -65.41 -49.94 67.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tp -69.35 -31.1 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.122 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -38.52 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.141 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.31 -29.82 65.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.701 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.52 -30.6 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.863 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 2.0 m-85 -72.36 -49.81 31.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.738 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -61.08 -40.99 95.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.751 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.7 tp -71.99 -23.99 61.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 81' ' ' PHE . 28.4 t80 -66.58 -26.01 66.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.719 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.54 -45.77 91.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.96 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.94 94.46 4.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.615 HD22 ' HG2' ' A' ' 64' ' ' GLU . 1.2 t-20 -171.78 137.42 1.0 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -22.38 62.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.967 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 61.0 m-20 -61.16 -49.77 75.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m 56.88 29.7 16.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 89' ' ' ASP . 11.2 pt-20 -167.84 135.96 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -82.53 117.65 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.535 ' C ' HG13 ' A' ' 94' ' ' ILE . 94.6 mt -113.75 141.52 47.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.509 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.718 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 3.2 mt -142.91 159.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.628 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.599 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -118.42 107.03 13.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.851 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 42.1 t -78.0 122.09 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.981 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 58' ' ' THR . 38.8 m-85 -123.63 113.99 28.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.629 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 38.1 Cg_exo -56.97 166.48 3.96 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.376 2.051 . . . . 0.0 112.23 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.87 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.836 0.35 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -72.03 134.5 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -73.04 116.38 13.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 92' ' ' LEU . 29.2 t -123.07 127.94 74.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 117.08 29.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.574 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.7 161.91 19.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 2.7 m-85 -141.13 81.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.628 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 26.6 t80 -90.97 111.07 22.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.686 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 57.0 21.12 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.7 49.14 2.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.588 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 30.8 t70 -142.27 120.48 12.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.773 0.32 . . . . 0.0 110.778 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -84.01 130.78 35.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.29 136.44 52.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.4 mm -85.69 101.19 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.197 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 t -134.49 128.64 33.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -117.63 140.18 50.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.023 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -120.75 158.86 26.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.764 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.611 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -71.36 157.56 89.8 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.53 -18.0 61.42 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.4 2.067 . . . . 0.0 112.216 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -111.58 42.8 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.611 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 1.2 tp -97.38 146.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.503 ' N ' HG13 ' A' ' 36' ' ' ILE . 60.3 p -109.77 171.16 7.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.577 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -74.66 -26.98 60.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -43.72 98.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.4 ' HA2' HD22 ' A' ' 43' ' ' ASN . . . -82.97 -18.44 65.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.523 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -70.7 -14.71 62.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.44 -40.69 29.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.748 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -76.51 -23.61 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.52 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -40.04 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.727 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.619 HG13 ' HE3' ' A' ' 48' ' ' MET . 62.5 t -69.46 -37.62 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.456 HH11 ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -76.64 -22.07 54.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.851 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 1.5 t0 -76.13 -43.23 44.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.842 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.619 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -74.37 -32.96 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.23 -10.26 50.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m 57.33 89.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -116.62 -168.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.761 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -88.36 13.69 11.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.46 HD22 ' C ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER 55.7 25.4 8.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.144 179.38 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -165.08 -0.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.8 152.96 44.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.951 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.31 143.29 28.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.692 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.524 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 10.3 p90 -168.65 152.03 5.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -127.43 114.75 17.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.388 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.513 ' HG2' ' HA ' ' A' ' 96' ' ' VAL . 50.0 mtm -90.65 164.5 14.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.289 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.56 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 4.6 mttt -146.37 105.31 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.68 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.676 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 10.3 p-90 -63.05 124.23 20.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.323 0.582 . . . . 0.0 111.163 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.659 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -68.13 147.4 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.041 -179.53 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -80.93 -157.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' H ' ' HB3' ' A' ' 63' ' ' ASP . 15.5 pt-20 -83.47 -21.37 32.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -106.83 4.55 27.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.052 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.659 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 91.91 59.85 1.3 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 44.9 m-20 -130.25 92.75 35.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.585 0.231 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.56 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.1 Cg_exo -64.24 109.06 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.734 2.29 . . . . 0.0 111.669 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.8 t -115.43 148.98 38.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.145 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.14 121.01 3.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.45 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.77 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 5.4 p -107.57 20.71 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.113 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 t -80.51 59.26 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.681 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 14.0 t -160.4 143.3 13.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.765 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -36.1 81.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.91 -17.87 49.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.77 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.4 OUTLIER -66.17 -56.22 12.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.84 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tp -68.79 -29.02 67.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.991 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -37.81 87.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.077 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.23 -28.64 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.764 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.21 68.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.388 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.1 -37.09 84.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.305 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -72.26 -29.49 63.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.502 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.628 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.824 0.345 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -72.13 102.14 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.678 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.493 ' C ' HG13 ' A' ' 94' ' ' ILE . 1.5 mp -107.78 144.84 34.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.676 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 8.5 mt -143.7 154.98 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.657 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.412 ' CD2' HD12 ' A' ' 62' ' ' ILE . 3.7 m-70 -114.35 107.44 15.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.2 t -78.19 124.26 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 58' ' ' THR . 71.8 m-85 -118.85 131.46 24.31 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.048 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.54 115.24 4.21 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.506 2.138 . . . . 0.0 112.344 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.524 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 31' ' ' HIS . 39.0 mt-30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.774 0.321 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -76.67 139.95 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.028 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 18' ' ' ARG . 16.0 ttp-105 -76.18 111.82 12.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.772 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.489 HG22 ' HB3' ' A' ' 92' ' ' LEU . 78.3 t -121.11 129.42 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HB2' ' HG ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -114.48 115.71 27.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.674 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.63 158.24 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.8 OUTLIER -144.26 73.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.547 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 30.7 t80 -83.54 107.03 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.39 22.95 6.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.5 32.98 5.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -119.68 113.84 21.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 110.722 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -84.18 105.8 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.192 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.57 129.74 55.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -78.61 119.29 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.055 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.2 t -148.78 130.67 15.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.037 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 16' ' ' GLN . 3.1 m-70 -116.85 135.75 53.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.412 ' HD2' HG21 ' A' ' 19' ' ' VAL . 67.7 m-85 -117.1 166.76 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -97.47 155.29 37.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -77.94 33.71 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.545 2.163 . . . . 0.0 112.624 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.27 11.53 1.53 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.495 HG22 ' O ' ' A' ' 33' ' ' GLU . 16.0 tt -104.51 143.68 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 p -90.38 177.87 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.423 ' CD1' HD13 ' A' ' 77' ' ' LEU . 72.5 t80 -76.02 -28.01 57.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.29 -45.39 88.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.716 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.7 -24.92 71.11 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.207 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -67.89 -14.31 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.59 -36.53 37.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.275 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -79.18 -24.89 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.347 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -73.89 -40.69 63.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.746 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.476 HG21 ' CE ' ' A' ' 59' ' ' MET . 72.8 t -69.46 -39.68 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.69 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -76.33 -19.36 58.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.829 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -78.4 -34.13 48.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.738 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.35 -20.83 24.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.966 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 t -100.79 -4.11 28.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.1 m 57.24 89.51 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.69 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 3.1 m-85 -117.99 -170.75 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.649 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' C ' HD22 ' A' ' 53' ' ' ASN . 20.1 m-20 -91.58 10.98 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.618 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.496 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.2 m-80 63.72 0.72 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.755 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -142.61 2.61 1.42 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.882 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.52 152.3 45.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.823 0.344 . . . . 0.0 110.979 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.82 140.89 33.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.515 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 6.9 p90 -168.64 130.24 1.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.807 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 17.1 m -104.1 119.0 38.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 0.0 111.47 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.476 ' CE ' HG21 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -94.78 167.91 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.75 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.508 ' HG2' ' N ' ' A' ' 70' ' ' THR . 17.0 mttt -145.22 102.77 3.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.786 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.74 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 10.6 p-90 -60.98 122.25 14.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.159 0.504 . . . . 0.0 111.504 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.609 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -68.12 146.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.964 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.623 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.6 OUTLIER -81.31 -168.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.894 -179.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -77.61 -10.06 59.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.01 -0.69 12.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.788 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.609 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 95.35 55.94 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.383 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.623 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 22.9 m-20 -128.33 91.39 44.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.644 0.259 . . . . 0.0 111.163 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.476 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 38.1 Cg_exo -60.85 117.29 4.04 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.783 2.322 . . . . 0.0 111.637 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -114.59 137.91 51.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.776 0.322 . . . . 0.0 111.143 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.508 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 3.9 m -54.71 117.25 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.427 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.696 HG23 ' HB3' ' A' ' 76' ' ' GLU . 3.2 p -118.47 118.12 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 p -151.52 38.01 0.61 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.75 160.77 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -72.48 -33.25 66.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.02 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.36 -24.79 34.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.194 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.696 ' HB3' HG23 ' A' ' 71' ' ' VAL . 15.9 mm-40 -61.87 -59.78 4.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -65.2 -28.33 69.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.243 179.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.527 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 2.7 tt0 -66.7 -34.47 77.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.333 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -73.19 -28.45 62.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.717 179.393 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -69.66 -37.76 76.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.864 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.476 ' HA ' HD11 ' A' ' 92' ' ' LEU . 4.5 m-85 -66.18 -45.84 79.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -35.18 73.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.732 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.886 0.374 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.489 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.3 92.76 1.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.826 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.542 ' C ' HG13 ' A' ' 94' ' ' ILE . 3.3 mp -106.01 149.13 26.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.74 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 4.5 mt -145.36 152.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' MET . 4.4 m-70 -110.85 107.07 16.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.521 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 46.7 t -79.44 120.9 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.998 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 58' ' ' THR . 60.0 m-85 -116.52 122.49 31.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.34 117.72 4.94 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.53 2.153 . . . . 0.0 112.386 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.515 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 4.8 t . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.18 -0.914 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 9.6 pt20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.925 0.393 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.425 HG21 HD13 ' A' ' 92' ' ' LEU . 2.8 p -72.91 132.3 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.144 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 3.2 ttm180 -71.78 116.71 12.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.63 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 92' ' ' LEU . 85.6 t -128.83 142.47 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 116.72 18.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.691 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.05 163.56 19.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.261 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 2.0 m-85 -142.44 74.28 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.98 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 22.7 t80 -83.86 109.5 17.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.671 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 55.92 26.89 10.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 38.91 6.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.643 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.3 m-20 -129.62 119.41 23.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.335 . . . . 0.0 110.785 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -82.18 130.36 35.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.251 -179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -127.49 123.6 36.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mm -79.25 105.71 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 t -138.42 136.28 36.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 16' ' ' GLN . 2.4 m-70 -118.88 135.68 54.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -120.39 178.92 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.62 150.42 69.85 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.739 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.27 -9.27 25.37 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.464 2.109 . . . . 0.0 112.401 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.11 47.04 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.8 tt -104.71 149.35 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.7 m -100.32 167.18 10.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -70.48 -27.48 64.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.765 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.9 -41.95 88.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.52 -21.45 58.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.598 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -68.26 -11.53 59.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.81 0.338 . . . . 0.0 111.029 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.4 t -81.78 -43.39 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.799 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -71.6 -25.63 62.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.512 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.98 -43.6 53.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.787 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.481 HG11 ' SD ' ' A' ' 59' ' ' MET . 56.8 t -67.65 -40.74 84.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -70.64 -25.06 62.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.789 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -70.24 -49.27 51.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -28.4 60.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t -88.56 -9.08 53.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.974 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 t 59.39 95.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.012 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.525 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 12.4 m-85 -131.14 -179.59 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.69 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.465 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -90.67 14.32 13.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.465 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 59.37 13.18 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.202 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -141.29 -12.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 158.55 6.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.17 139.41 39.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.606 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 6.2 p90 -169.04 139.19 2.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -113.56 114.17 26.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.472 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.518 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 9.5 mtm -100.67 138.12 38.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.55 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.513 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -123.77 116.56 23.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 -179.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.732 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 11.4 p-90 -57.75 122.85 13.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.397 0.618 . . . . 0.0 111.765 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' ' 93' ' ' LEU . 6.8 mt -71.36 133.63 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.213 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.48 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -76.43 178.95 6.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.66 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.86 -31.49 72.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.772 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -92.25 -2.17 56.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 92.44 61.8 1.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.171 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.48 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -130.8 88.45 46.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.622 0.249 . . . . 0.0 111.155 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.513 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 32.0 Cg_exo -58.73 95.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.49 2.127 . . . . 0.0 111.715 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.498 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 12.5 m -96.85 134.15 40.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.424 HG23 ' HD3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -46.3 109.87 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.486 -179.494 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.869 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.2 p -94.14 26.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.063 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.6 56.9 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.603 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 13.4 t -162.15 142.9 10.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.577 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -63.61 -32.3 73.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.85 -21.66 37.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.197 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.869 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 3.2 tp10 -64.28 -47.66 78.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.477 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.412 HD12 HG21 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -70.44 -33.09 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.342 179.533 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -40.34 93.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.448 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.536 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -66.68 -32.27 73.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.178 179.574 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.536 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -62.74 -41.21 99.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.457 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.34 -38.78 90.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.175 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -68.11 -21.59 64.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.51 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.204 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.926 0.393 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -71.98 99.95 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.489 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . 1.6 mp -109.43 149.54 29.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.526 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.732 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 34.0 mt -146.3 155.51 12.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.518 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -113.1 107.26 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.783 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 58.6 t -78.62 116.41 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.956 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.4 m-85 -113.9 117.54 43.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.127 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.25 107.98 2.25 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.427 2.085 . . . . 0.0 112.337 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.606 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.807 0.337 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 p -72.57 132.45 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 18' ' ' ARG . 7.0 ttp180 -74.04 119.64 18.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 92' ' ' LEU . 48.4 t -128.09 138.41 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -126.46 117.6 23.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.883 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -81.48 154.19 26.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 4.9 m-85 -130.35 78.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.475 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.532 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 43.9 t80 -83.88 106.87 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.812 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.57 18.41 7.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.33 41.36 3.01 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.731 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -135.48 119.27 17.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.66 0.267 . . . . 0.0 110.799 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.475 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -78.08 128.43 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -124.07 133.2 53.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.73 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.3 mm -81.21 107.57 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -140.88 125.53 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.292 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -118.91 144.92 46.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.612 ' HB3' HG21 ' A' ' 36' ' ' ILE . 33.2 m-85 -123.47 171.04 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.4 153.08 73.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.659 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.2 12.44 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.523 2.148 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.52 31.9 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' A' ' 32' ' ' PHE . 3.5 tt -97.57 149.52 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 m -95.83 160.42 14.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.55 -21.62 66.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -55.52 33.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.952 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.45 -15.83 68.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.585 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -68.82 -17.47 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 110.973 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.6 t -70.51 -48.52 55.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 6.1 t30 -71.02 -24.85 62.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.287 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -41.15 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.696 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 41' ' ' LEU . 86.4 t -71.76 -41.79 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.433 ' CG ' ' HA ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -70.85 -17.87 62.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.887 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 16.6 t0 -76.47 -50.97 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -26.2 55.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.266 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.36 -12.47 34.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.71 92.86 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 8.8 m-85 -126.46 -170.79 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.753 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -93.94 16.71 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.802 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.447 HD22 ' C ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER 55.1 23.46 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.151 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.84 -3.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.98 158.71 24.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.009 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.03 139.2 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.077 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.4 p90 -169.87 153.63 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.557 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 5.0 m -133.38 115.47 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.016 0.436 . . . . 0.0 111.796 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -90.98 162.23 14.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.318 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 12.2 mttt -144.22 103.77 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.922 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.78 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 8.0 p-90 -59.73 123.34 16.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.227 0.537 . . . . 0.0 111.036 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.587 HG22 ' HB2' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -67.9 146.61 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.091 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.728 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -81.79 -161.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -79.07 -20.97 47.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.63 15.56 21.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.564 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 81.12 60.68 2.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.529 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.728 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 30.5 m-20 -130.52 89.07 45.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 110.993 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.507 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 31.8 Cg_exo -59.1 110.98 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.633 2.222 . . . . 0.0 111.984 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.5 t -110.69 143.7 40.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.0 p -48.06 103.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.556 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.401 ' HB ' ' HD1' ' A' ' 61' ' ' TRP . 6.1 p -99.82 19.72 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.77 55.44 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.22 162.74 40.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -77.11 -37.87 53.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.52 -24.65 36.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -60.95 3.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.74 -29.29 70.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.087 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -34.29 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.993 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.491 ' HG2' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -72.47 -31.8 65.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.598 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.491 ' N ' ' HG2' ' A' ' 79' ' ' GLU . . . -64.6 -39.98 94.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.716 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -70.89 -30.81 67.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.337 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -66.23 -30.15 70.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.199 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.411 179.625 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.847 0.356 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -94.53 109.85 21.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.747 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.587 ' HB2' HG22 ' A' ' 62' ' ' ILE . 64.0 mt -112.83 148.21 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.811 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.78 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 5.4 mt -144.28 162.04 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.655 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.482 ' N ' HG22 ' A' ' 94' ' ' ILE . 1.4 m-70 -122.24 106.81 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.382 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 24.4 t -79.11 128.38 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.392 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 58' ' ' THR . 79.1 m-85 -121.51 130.24 24.87 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.7 111.02 3.16 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.429 2.086 . . . . 0.0 112.345 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.514 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 1.2 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 25.6 mt-30 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.776 0.322 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.43 139.47 18.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -79.53 115.94 19.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 42.5 t -128.28 134.15 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.237 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -122.71 117.42 25.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.632 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -81.95 157.12 24.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -131.89 78.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.526 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 61.5 t80 -83.56 104.76 13.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.953 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.09 29.23 12.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 53.67 2.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.551 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.48 117.49 5.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.369 . . . . 0.0 110.772 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -82.15 129.88 36.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -127.52 134.1 49.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.79 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mm -78.17 115.32 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.324 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.8 t -149.2 128.33 12.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.026 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -118.7 147.72 43.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.984 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 41.2 m-85 -128.43 -174.11 3.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 36' ' ' ILE . 37.3 mt-10 -101.54 151.25 37.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.37 -7.69 12.89 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.715 2.277 . . . . 0.0 112.202 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 t -131.11 58.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.996 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.7 tt -125.38 144.74 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.13 156.59 19.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.483 ' HD1' HD22 ' A' ' 77' ' ' LEU . 40.4 t80 -67.67 -20.41 65.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -60.64 -41.33 94.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.701 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.35 -24.11 69.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.327 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -11.62 55.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 0.0 110.843 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 t -77.84 -52.58 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -69.46 -29.28 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.96 -54.29 32.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.451 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.535 HG13 ' HE2' ' A' ' 48' ' ' MET . 43.1 t -61.11 -35.56 66.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.401 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 1.1 ttp180 -68.55 -29.61 68.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.712 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.24 -31.93 60.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.319 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.535 ' HE2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.21 -13.01 33.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.084 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 t -105.75 -10.01 16.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.8 m 59.58 93.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.525 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 14.9 m-85 -124.89 -166.16 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.473 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -99.36 14.75 28.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.757 179.609 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.473 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 61.7 7.53 1.97 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.393 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.85 -2.12 1.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.743 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.37 152.98 32.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.99 137.6 40.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.628 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.3 p90 -169.24 146.66 3.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.536 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 6.2 m -127.66 121.81 31.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.125 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.514 ' HG2' HG13 ' A' ' 96' ' ' VAL . 2.6 mtm -103.11 151.93 21.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.769 ' HE2' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -130.17 116.7 18.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.382 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.721 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 15.4 p-90 -59.74 121.47 11.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.339 0.59 . . . . 0.0 111.903 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.511 ' CG2' ' HA2' ' A' ' 66' ' ' GLY . 4.0 mt -67.84 130.54 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.628 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 5.5 t0 -71.3 -159.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.67 -41.07 27.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.957 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -91.66 11.51 24.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.511 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 85.03 64.32 1.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.628 ' HB3' ' HB2' ' A' ' 63' ' ' ASP . 26.1 t0 -130.96 85.38 55.24 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-O 120.608 0.242 . . . . 0.0 111.302 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.496 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 46.7 Cg_exo -56.29 95.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.55 2.167 . . . . 0.0 112.096 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.449 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 10.5 t -85.19 128.1 34.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.653 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.769 HG23 ' HE2' ' A' ' 60' ' ' LYS . 5.1 m -53.53 107.92 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.416 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.647 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.6 p -114.41 118.0 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.908 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.434 ' HA ' ' CE2' ' A' ' 38' ' ' PHE . 11.3 m -149.65 21.47 0.91 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -127.17 153.15 46.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.803 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -66.16 -29.07 69.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.34 -22.69 35.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.647 ' HB3' HG23 ' A' ' 71' ' ' VAL . 5.2 mm-40 -67.27 -55.31 14.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.483 HD22 ' HD1' ' A' ' 38' ' ' PHE . 1.9 tp -65.65 -29.3 69.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.022 0.439 . . . . 0.0 109.999 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.42 -37.59 87.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.987 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -70.09 -29.73 66.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.712 179.147 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.502 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -65.14 -33.06 75.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.593 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -71.62 -42.37 67.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.581 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -37.66 84.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.727 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.127 -179.897 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.868 0.366 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.3 111.15 7.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.417 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.457 ' C ' HG13 ' A' ' 94' ' ' ILE . 47.1 mt -111.45 148.59 32.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.928 0.394 . . . . 0.0 111.263 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.721 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 19.1 mt -146.07 154.75 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.16 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.465 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -113.57 106.8 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.675 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 10.8 t -77.01 122.91 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.815 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.3 m-85 -119.82 120.88 30.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.436 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.52 107.3 2.27 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.561 2.174 . . . . 0.0 112.231 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.628 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 33.9 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 18.5 mt-30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.804 0.335 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.98 130.89 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.991 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 -75.62 122.91 24.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.714 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 87.7 t -130.23 140.12 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.369 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.632 ' HD3' HD11 ' A' ' 93' ' ' LEU . 3.2 mttt -127.31 114.11 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.664 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -88.97 162.72 15.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.373 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.507 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 13.0 m-85 -133.1 76.23 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.506 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 8.3 t80 -83.35 112.43 19.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.661 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 55.4 28.94 12.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.981 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.32 48.34 5.11 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -142.5 119.54 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.733 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -81.55 113.99 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.13 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mtm -112.57 130.62 55.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mm -80.37 115.74 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 t -144.42 127.94 17.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -114.67 137.99 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 50.4 m-85 -119.83 -179.24 3.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.499 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 3.4 pm0 -107.68 151.62 41.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.06 -10.86 16.26 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.535 2.157 . . . . 0.0 112.623 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.08 48.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 111.249 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.499 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 9.4 tt -130.7 150.42 34.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.015 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.52 -174.88 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -78.89 -15.37 58.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.98 -58.66 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.52 -14.38 62.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.403 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -11.47 60.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.755 0.312 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.0 t -78.96 -54.43 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -69.48 -31.5 69.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.3 -54.81 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.649 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.532 HG13 ' HE3' ' A' ' 48' ' ' MET . 76.1 t -63.83 -39.19 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.616 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -61.88 -23.62 66.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.688 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.22 -43.6 27.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.532 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -83.77 -1.24 53.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.6 m -117.58 -19.92 9.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.6 m 58.93 92.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -123.34 -166.01 1.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.65 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' C ' HD22 ' A' ' 53' ' ' ASN . 11.2 m-20 -93.34 14.45 18.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.608 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.481 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 62.25 5.84 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.3 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 7.0 mt-10 -141.7 -5.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.626 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.92 150.46 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.43 138.75 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.01 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.536 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 4.9 p90 -164.92 130.78 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.607 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.585 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 1.3 m -105.14 118.85 37.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.571 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.518 ' HE1' HG21 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -89.79 166.79 13.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.504 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.502 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 56.9 mttt -143.9 103.32 4.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.716 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.562 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 11.5 p-90 -60.95 123.99 19.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.176 0.512 . . . . 0.0 111.353 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.539 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -67.87 144.94 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.903 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.535 ' H ' ' H ' ' A' ' 67' ' ' ASP . 3.5 m-20 -85.5 -172.92 4.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -68.01 -17.41 64.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -111.62 18.88 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.539 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 71.54 54.32 8.84 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.371 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.535 ' H ' ' H ' ' A' ' 63' ' ' ASP . 8.2 t70 -123.51 92.44 48.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 110.993 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HG3' HG13 ' A' ' 62' ' ' ILE . 32.3 Cg_exo -61.82 104.99 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.668 2.246 . . . . 0.0 111.881 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.5 t -111.82 152.26 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.975 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -44.78 125.43 4.97 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.45 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' ' 71' ' ' VAL . 9.2 p -125.16 23.21 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.049 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -80.9 57.27 3.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.29 142.93 13.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.54 -30.86 71.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -23.34 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.88 -54.17 30.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tp -66.34 -25.69 66.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.983 0.42 . . . . 0.0 110.068 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -35.79 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.203 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -73.32 -23.83 60.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.858 179.346 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -74.1 -36.11 64.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.786 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.7 -45.1 72.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.716 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -36.72 81.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.707 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.191 0 CA-C-O 120.702 0.287 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -73.28 114.95 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.632 HD11 ' HD3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -117.88 145.65 44.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.63 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.562 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 15.4 mt -144.97 157.04 13.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.694 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 4.4 m-70 -116.71 107.18 14.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.689 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 61.8 t -77.51 123.41 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.585 ' HB2' ' O ' ' A' ' 58' ' ' THR . 69.4 m-85 -118.71 116.44 34.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.536 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 48.2 Cg_endo -68.82 114.99 3.73 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.412 2.075 . . . . 0.0 112.163 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.527 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.517 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 2.2 pt20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.839 0.352 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.64 136.12 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -75.8 116.34 16.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 92' ' ' LEU . 90.7 t -126.04 139.97 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -128.85 108.32 10.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.6 163.06 23.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.492 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -136.32 79.79 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.667 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.54 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 45.8 t80 -83.69 100.4 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 56.77 29.48 16.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.78 37.32 5.28 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.583 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.2 OUTLIER -126.56 111.13 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.497 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -78.32 112.37 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.443 ' SD ' ' HB3' ' A' ' 26' ' ' ASP . 2.9 mpp? -114.98 111.78 21.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 29' ' ' ILE . 4.6 mp -79.86 97.43 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.041 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.2 t -127.98 138.75 52.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.832 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -116.54 145.82 43.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.371 . . . . 0.0 111.102 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.584 ' HB3' HD13 ' A' ' 36' ' ' ILE . 20.1 m-85 -128.41 -167.99 1.85 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.807 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -91.94 155.15 43.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.24 -15.89 52.19 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.436 2.091 . . . . 0.0 112.307 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 m -118.27 41.76 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.807 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.76 HG12 HD12 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -91.48 148.28 4.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.243 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.34 175.14 5.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.777 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -73.57 -34.27 65.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 5.4 pt-20 -56.61 -39.71 74.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.781 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . -84.69 -26.96 36.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.3 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.76 HD12 HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -66.98 -17.3 64.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 0.0 110.759 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -40.29 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.216 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.1 -20.66 59.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.401 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -78.14 -50.63 11.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 41' ' ' LEU . 79.1 t -64.62 -28.59 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.721 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -31.23 54.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -72.4 -29.13 63.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.173 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.428 ' H ' ' HG3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -91.21 -31.64 16.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.177 -179.659 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.7 t -87.36 -13.34 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.143 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.22 82.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -103.16 -173.61 2.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -87.68 15.55 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.526 179.578 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.53 ' N ' HD22 ' A' ' 53' ' ' ASN . 0.8 OUTLIER 58.01 24.02 10.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.951 179.417 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -162.74 5.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.76 151.41 36.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.068 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 56' ' ' LEU . 2.2 mm? -100.75 144.52 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -174.82 142.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.649 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -122.5 119.92 32.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.296 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.79 167.53 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.555 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.573 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 68.4 mttt -148.02 103.75 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.105 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.813 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 18.9 p-90 -61.99 120.38 10.69 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.33 0.586 . . . . 0.0 111.009 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.599 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -68.34 148.47 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.153 -179.502 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.605 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -81.15 -151.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.951 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' H ' ' HB3' ' A' ' 63' ' ' ASP . 8.6 pt-20 -85.95 -29.86 23.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.223 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.67 4.44 38.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.599 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 95.82 64.52 0.96 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.605 ' H ' ' H ' ' A' ' 63' ' ' ASP . 1.2 t0 -130.65 89.21 44.27 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.551 0.215 . . . . 0.0 111.233 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.573 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.6 Cg_exo -63.13 110.17 1.11 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.681 2.254 . . . . 0.0 111.808 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 42.6 t -110.23 138.66 46.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.496 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -52.44 110.01 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.423 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.776 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 7.4 p -95.7 26.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -79.49 45.41 0.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.1 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.04 143.69 23.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -43.72 98.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -22.47 62.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.776 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 1.2 tp10 -64.5 -61.26 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.468 HD12 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -62.78 -27.21 69.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.965 0.412 . . . . 0.0 110.053 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -33.79 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.999 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.04 -27.42 61.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.7 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.02 87.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.678 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -66.07 -40.65 91.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.497 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -30.86 69.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.263 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.309 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.846 0.355 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.512 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -93.18 99.43 12.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.675 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.532 ' HB3' HG22 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -95.94 140.7 30.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.813 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 13.4 mt -144.43 157.02 14.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.503 ' NE2' HD12 ' A' ' 62' ' ' ILE . 5.9 m-70 -121.61 107.25 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 3.7 t -78.23 126.02 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.643 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' THR . 69.7 m-85 -120.55 122.63 28.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.387 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.47 131.93 19.73 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.527 2.151 . . . . 0.0 112.302 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.863 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.868 0.366 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.93 137.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.212 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -79.77 114.65 18.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 92' ' ' LEU . 58.3 t -124.0 143.76 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.026 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.29 126.09 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.581 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.587 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.14 162.16 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.392 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 0.6 OUTLIER -142.39 71.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.269 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 36.1 t80 -86.25 105.63 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.043 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.658 ' HE ' ' HG3' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 53.04 32.96 13.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.05 44.7 4.68 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.74 109.13 8.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.725 0.297 . . . . 0.0 110.732 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.587 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -87.75 105.19 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.5 mtt -106.82 140.52 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.0 mm -86.13 109.91 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.62 125.58 29.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.823 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -114.36 137.92 51.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -119.65 -177.37 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.1 mt-10 -114.14 154.24 46.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.572 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -78.74 40.04 0.87 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.517 2.145 . . . . 0.0 112.63 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -154.27 17.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 33' ' ' GLU . 3.8 tt -106.93 147.0 12.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.206 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.4 p -96.16 175.77 6.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -79.74 -17.29 53.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.22 -42.92 99.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.064 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.3 -16.32 67.07 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.614 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -67.38 -11.41 57.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.764 0.316 . . . . 0.0 111.071 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.5 t -77.52 -44.63 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 10.9 m-20 -75.02 -23.69 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.635 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.49 -43.08 51.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.672 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 41' ' ' LEU . 48.1 t -67.91 -36.32 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.945 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.589 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -77.56 -23.82 49.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.971 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.92 -37.04 70.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -30.86 31.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.24 -7.17 45.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.11 90.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.589 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 8.5 m-85 -121.97 -177.63 3.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.736 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.509 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.3 OUTLIER -87.77 9.46 21.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.509 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 59.94 8.24 1.37 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.631 179.245 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -140.65 -7.6 1.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.05 170.19 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.264 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.78 142.58 40.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -169.49 158.92 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.547 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -139.59 114.83 9.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.429 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.539 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 12.5 mtm -88.89 162.31 16.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 70' ' ' THR . 1.0 OUTLIER -139.4 104.28 4.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -179.717 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.547 ' N ' HG23 ' A' ' 94' ' ' ILE . 7.9 p-90 -69.27 142.14 54.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.515 HG23 ' HA2' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -81.4 136.0 23.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.511 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -73.87 -156.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.099 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.424 ' H ' ' HB3' ' A' ' 63' ' ' ASP . 10.3 mt-10 -78.12 -24.45 47.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -107.6 14.57 25.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.98 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.515 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 78.78 60.37 2.62 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.344 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.511 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -120.89 91.17 47.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.585 0.231 . . . . 0.0 111.112 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.443 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 28.0 Cg_exo -61.84 88.18 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.582 2.188 . . . . 0.0 111.671 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.49 150.16 24.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.836 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.445 ' N ' ' HD3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -46.27 130.19 10.45 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.588 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.616 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 7.4 p -118.37 33.36 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.518 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.33 49.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.164 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.613 ' HB2' ' HB2' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -153.41 134.53 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.767 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.57 -33.18 69.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -24.5 36.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.616 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -62.44 -56.99 12.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -65.61 -31.56 72.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.331 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -35.16 80.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.374 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.29 -27.02 61.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.852 179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.08 85.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.662 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -64.12 -42.61 96.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.443 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -60.94 -27.98 68.61 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.579 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.669 179.753 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.887 0.375 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -72.35 82.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.447 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 37.7 mt -99.08 98.25 9.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.547 HG23 ' N ' ' A' ' 61' ' ' TRP . 3.0 mt -95.01 147.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.539 ' O ' ' HA ' ' A' ' 59' ' ' MET . 14.7 m-70 -110.36 107.41 17.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.594 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 16.6 t -76.53 126.94 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.795 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.547 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.1 m-85 -117.58 127.63 26.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.658 ' HG3' ' HE ' ' A' ' 24' ' ' ARG . 57.1 Cg_endo -71.18 109.7 2.64 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.464 2.11 . . . . 0.0 112.27 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.981 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.592 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 6.7 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.881 0.372 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 p -77.84 136.73 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.439 ' HG2' ' HG2' ' A' ' 91' ' ' GLU . 4.4 ttt180 -72.81 106.26 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.673 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 92' ' ' LEU . 82.6 t -116.06 144.83 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.051 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD3' HD11 ' A' ' 93' ' ' LEU . 0.4 OUTLIER -134.18 116.76 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.777 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.51 160.33 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.42 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 2.4 m-85 -140.42 77.0 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.47 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.572 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 16.5 t80 -83.41 102.94 12.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.823 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER 54.42 28.59 9.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.218 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.17 39.32 4.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.19 110.94 12.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.725 0.297 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -84.94 118.54 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 mtt -124.16 124.86 43.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.78 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mm -78.74 109.06 13.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.063 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.0 t -136.8 132.49 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 16' ' ' GLN . 3.7 m-70 -119.08 129.43 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.434 ' HE2' HG11 ' A' ' 19' ' ' VAL . 10.3 m-85 -113.91 143.28 44.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.18 146.14 88.88 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.747 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.62 -14.72 10.73 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.572 2.181 . . . . 0.0 112.553 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.5 m -107.2 59.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 111.19 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 tt -131.14 147.61 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.78 176.47 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -74.5 -29.1 61.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -57.71 -58.04 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.42 -20.43 78.29 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.451 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -64.44 -17.17 63.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.0 -47.62 28.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.469 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -67.81 -22.14 65.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.446 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -73.03 -55.18 6.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.685 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 41' ' ' LEU . 33.1 t -64.91 -21.79 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.436 HH21 ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -81.74 -27.9 33.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.742 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.436 ' HB2' HH21 ' A' ' 46' ' ' ARG . 21.8 t70 -74.07 -34.29 63.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.055 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.44 ' CE ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -84.68 -28.13 26.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t -94.1 -15.22 24.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.063 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.8 t 58.38 93.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.411 ' HB2' ' CG ' ' A' ' 46' ' ' ARG . 15.9 m-85 -124.16 -165.51 1.37 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.506 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -94.91 13.0 26.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.506 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 63.29 0.51 0.8 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.585 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.88 0.35 1.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.349 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.95 153.62 33.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.151 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.412 HD13 ' H ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -97.89 140.55 32.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.696 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.544 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 12.2 p90 -171.95 145.99 1.94 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -126.29 117.18 22.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.309 -179.771 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.47 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 10.3 mtm -89.85 163.75 14.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.491 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.519 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 89.6 mttt -143.58 102.97 4.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.77 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.717 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 19.7 p-90 -58.58 121.49 11.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.307 0.575 . . . . 0.0 111.282 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.601 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -68.2 147.65 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.164 -179.676 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.578 ' H ' ' H ' ' A' ' 67' ' ' ASP . 1.5 t0 -83.46 -164.02 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.656 ' HG3' ' HG2' ' A' ' 65' ' ' GLU . 16.2 pt-20 -77.12 -16.97 58.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.656 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 13.7 mm-40 -114.34 17.76 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.601 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 77.38 58.43 3.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.387 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.578 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -127.61 91.72 44.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.652 0.263 . . . . 0.0 111.073 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.519 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 27.8 Cg_exo -62.21 117.3 4.15 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.775 2.317 . . . . 0.0 111.833 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.56 144.22 48.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.772 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.473 ' HA ' ' HG2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -43.96 126.32 4.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.387 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.598 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 5.7 p -123.14 18.43 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.039 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.36 57.9 3.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.99 156.9 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.679 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -36.19 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -22.75 36.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.598 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -59.56 -58.02 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.715 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.69 -25.86 68.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.991 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.08 -33.66 73.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.105 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -22.94 54.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.808 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.2 -32.78 56.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.725 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -75.45 -37.69 60.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.477 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.2 mpp_? -66.91 -39.31 87.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.216 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.244 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.439 ' HG2' ' HG2' ' A' ' 18' ' ' ARG . 2.0 mp0 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.79 0.329 . . . . 0.0 110.677 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.617 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.24 82.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.512 ' C ' HG13 ' A' ' 94' ' ' ILE . 3.1 mp -91.96 143.56 26.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.39 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.717 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 3.2 mt -141.71 158.69 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -114.24 107.04 15.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.552 179.697 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 15.8 t -78.06 118.11 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 58' ' ' THR . 65.3 m-85 -113.3 123.53 33.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.68 117.82 4.88 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.59 2.193 . . . . 0.0 112.236 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.896 0.379 . . . . 0.0 111.222 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -122.27 131.8 72.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.782 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.472 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -76.59 85.8 3.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.213 179.516 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 92' ' ' LEU . 10.0 t -109.2 150.19 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.635 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -140.47 125.3 18.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.534 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -85.1 167.91 15.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.004 0.431 . . . . 0.0 111.497 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.497 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 23.7 m-85 -141.64 75.95 1.52 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.245 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.609 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 23.2 t80 -83.54 100.93 11.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.057 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 52.86 36.71 22.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.213 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.84 51.28 3.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.96 108.18 4.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.309 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -81.29 116.06 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -113.59 136.71 52.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 mm -80.29 120.83 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t -148.4 124.55 10.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.371 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.534 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 1.9 m-70 -114.95 106.42 14.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 62.5 m-85 -88.49 -176.27 5.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 36' ' ' ILE . 2.1 mt-10 -113.7 151.76 44.91 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.766 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.34 21.19 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.579 2.186 . . . . 0.0 112.586 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.1 11.07 2.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 33' ' ' GLU . 8.8 tt -98.53 140.59 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.33 161.45 22.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 58.1 t80 -70.28 -24.96 63.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.763 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -57.2 -48.29 79.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.658 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.33 -17.33 80.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.113 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -66.72 -14.22 62.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 110.871 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 t -77.92 -40.9 38.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.461 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.413 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 3.3 m120 -74.35 -26.12 59.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.191 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.54 -31.37 57.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.609 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 41' ' ' LEU . 24.1 t -76.65 -42.45 34.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.97 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' CG ' ' HA ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -69.21 -26.13 64.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.946 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.2 -38.3 56.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.435 ' HE2' ' HA ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -82.41 -20.13 37.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 t -102.14 -6.05 23.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.93 92.25 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -128.42 -170.32 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.727 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.443 ' C ' HD22 ' A' ' 53' ' ' ASN . 3.6 m-20 -89.87 16.12 8.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.795 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.443 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 55.36 22.08 4.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.194 179.489 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -159.67 0.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 150.43 49.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 99' ' ' CYS . 3.1 tp -97.69 138.58 34.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.72 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -168.51 138.29 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -112.62 115.18 28.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.292 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.445 ' H ' ' HG3' ' A' ' 59' ' ' MET . 0.0 OUTLIER -100.06 148.41 24.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.031 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.523 ' HB3' ' C ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -132.7 115.39 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.34 179.751 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.799 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 19.1 p-90 -62.68 120.21 10.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.325 0.583 . . . . 0.0 111.678 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.521 HG13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -68.58 144.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.954 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.657 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -75.77 -156.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.012 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -81.4 -20.25 40.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.025 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -109.11 -2.79 17.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.499 ' C ' HG12 ' A' ' 62' ' ' ILE . . . 102.04 56.21 0.85 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.724 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.657 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 14.3 m-20 -121.41 93.76 48.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.587 0.232 . . . . 0.0 110.845 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.521 ' HG3' HG13 ' A' ' 62' ' ' ILE . 32.6 Cg_exo -61.85 110.09 0.91 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.647 2.231 . . . . 0.0 111.809 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.523 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 67.4 m -106.2 123.05 47.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.453 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 4.2 m -48.58 106.4 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.421 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.68 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.0 p -108.47 105.71 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.798 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.417 ' HA ' ' CE2' ' A' ' 38' ' ' PHE . 65.5 m -139.72 32.44 2.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.012 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 m -137.85 150.86 47.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -33.77 76.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.782 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -25.97 56.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.68 ' HB3' HG23 ' A' ' 71' ' ' VAL . 3.8 mm-40 -61.7 -51.9 66.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.716 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -67.64 -32.98 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.365 179.54 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.7 -36.87 79.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.074 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -72.74 -30.12 63.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.758 179.132 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -66.05 -39.91 90.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.403 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -69.69 -32.23 70.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.271 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -71.65 -27.46 63.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.599 179.71 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.3 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.705 179.912 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.787 0.327 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.503 ' HB3' HG13 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -72.1 128.27 35.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.535 ' C ' HG13 ' A' ' 94' ' ' ILE . 73.5 mt -129.25 141.62 51.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.368 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.799 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 4.2 mt -142.06 157.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.025 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -116.48 107.47 14.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.568 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 27.6 t -78.95 117.19 24.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.011 0.434 . . . . 0.0 110.749 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 58' ' ' THR . 55.1 m-85 -112.38 126.5 28.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.15 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.68 148.59 47.29 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.598 2.199 . . . . 0.0 112.303 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.537 ' HB3' HD23 ' A' ' 56' ' ' LEU . 1.2 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.983 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 120.858 0.361 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.7 135.29 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.286 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 18' ' ' ARG . 17.4 mtm180 -80.61 111.17 16.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 92' ' ' LEU . 47.5 t -109.35 134.71 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.62 ' HD3' HD11 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -119.03 116.14 25.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.638 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.59 159.63 25.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.479 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.7 OUTLIER -137.71 74.43 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.538 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -83.72 118.02 23.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.324 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 51.04 25.05 2.1 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.75 42.69 5.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.663 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 7.4 m-20 -135.23 122.11 21.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.734 0.302 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -80.39 137.7 21.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.428 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -133.42 140.26 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.4 mm -89.39 101.45 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.255 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t -136.33 118.92 15.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.976 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.59 151.07 28.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.401 ' HB3' HG21 ' A' ' 36' ' ' ILE . 39.2 m-85 -128.72 160.45 32.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.976 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.672 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 2.8 pm0 -72.28 156.6 90.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.65 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.42 -2.0 8.35 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.409 2.073 . . . . 0.0 112.556 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.2 m -135.47 68.41 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.672 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 3.0 tt -134.34 149.66 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.9 164.55 11.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.801 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -68.73 -15.47 63.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -48.67 70.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.71 -15.35 75.69 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -71.23 -9.8 58.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.909 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.6 t -74.58 -49.09 23.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.669 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -74.31 -26.7 60.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.67 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -66.66 -51.53 55.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.624 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.644 HG13 ' HE3' ' A' ' 48' ' ' MET . 94.2 t -66.33 -34.31 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.617 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -73.4 -21.65 60.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.952 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -78.86 -35.07 44.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.279 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.644 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.04 -20.61 21.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.495 -179.5 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 t -104.6 -17.29 14.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.367 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.1 m 59.42 98.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.617 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 14.5 m-85 -120.76 -169.7 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' C ' HD22 ' A' ' 53' ' ' ASN . 3.2 m-20 -87.05 11.45 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.464 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 56.3 18.41 3.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.355 179.217 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.405 ' H ' ' H ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -168.43 0.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.121 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.405 ' H ' ' H ' ' A' ' 54' ' ' GLU . 3.9 pt20 -67.73 179.8 1.31 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.137 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.81 140.69 47.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.6 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 6.9 p90 -169.14 162.32 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.736 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.557 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -147.39 119.76 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 111.715 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.507 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 4.3 mtm -100.05 147.14 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.455 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.496 ' HB3' ' C ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -127.14 111.01 13.5 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.921 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.738 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 42.9 p-90 -59.39 121.3 11.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.262 0.553 . . . . 0.0 111.556 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.598 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -67.84 151.38 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.208 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.619 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -88.67 -159.28 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.037 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -75.74 -31.01 59.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.189 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.52 19.09 20.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.224 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.598 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 78.89 60.52 2.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.515 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.619 ' H ' ' H ' ' A' ' 63' ' ' ASP . 1.8 t0 -128.19 92.71 40.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.661 0.267 . . . . 0.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 62' ' ' ILE . 27.6 Cg_exo -62.64 127.73 21.5 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.847 2.364 . . . . 0.0 111.949 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.496 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 9.8 t -120.9 126.98 51.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.882 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.2 m -48.1 117.83 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.605 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.838 HG23 ' HB3' ' A' ' 76' ' ' GLU . 1.4 p -123.68 110.72 26.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.784 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -146.37 28.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 m -135.55 153.64 51.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 1.7 tt0 -63.05 -30.17 71.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.86 -26.94 33.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.838 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -59.51 -61.84 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -27.48 69.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 109.924 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 0.6 OUTLIER -65.14 -34.56 78.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.985 179.226 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -74.35 -27.4 60.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.757 179.248 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -72.56 -33.06 66.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.659 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -76.0 -37.32 58.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.702 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -66.09 -37.35 85.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.476 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.469 179.601 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.891 0.377 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -76.13 108.35 8.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.716 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.62 HD11 ' HD3' ' A' ' 20' ' ' LYS . 2.0 mp -109.23 145.42 35.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.729 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.738 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 6.6 mt -143.41 155.42 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.773 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.507 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -112.09 107.23 16.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.7 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.8 t -76.64 125.25 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.326 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' A' ' 58' ' ' THR . 54.8 m-85 -124.3 92.35 48.26 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.347 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.6 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 83.0 Cg_endo -77.28 126.79 8.71 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.502 2.134 . . . . 0.0 112.381 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.825 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.756 0.312 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -77.53 144.38 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -75.78 117.18 17.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.848 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 92' ' ' LEU . 47.7 t -128.19 138.93 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -133.87 113.78 12.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -80.42 156.47 26.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.007 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.527 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 7.5 m-85 -131.51 82.57 2.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.784 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 30.2 t80 -83.58 99.4 10.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 56.91 26.53 11.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.987 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.38 38.51 3.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.57 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -127.83 109.31 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.703 0.287 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.454 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -79.81 110.85 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.528 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 3.2 tpp -111.08 125.75 54.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.661 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 mm -77.81 117.58 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.335 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 3.4 t -149.21 126.57 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.869 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -114.22 127.04 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.019 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -116.44 163.46 16.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -86.25 156.79 56.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.522 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -77.24 57.03 5.71 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.509 2.139 . . . . 0.0 112.579 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.29 27.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.824 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.515 HG13 ' N ' ' A' ' 37' ' ' SER . 1.1 tp -108.68 147.01 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.515 ' N ' HG13 ' A' ' 36' ' ' ILE . 1.7 p -102.26 -179.53 4.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -75.88 -30.22 58.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.22 -64.06 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.69 -22.42 69.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.398 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -69.75 -12.34 61.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.8 -42.01 28.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.537 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 67.3 m-80 -74.88 -24.7 58.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.532 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -75.31 -39.43 59.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.651 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.596 HG21 ' SD ' ' A' ' 59' ' ' MET . 55.8 t -71.51 -37.59 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -74.5 -23.33 58.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 110.821 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.15 -29.72 43.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.528 ' SD ' ' HG2' ' A' ' 28' ' ' MET . 0.0 OUTLIER -91.21 -19.22 23.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.041 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.9 t -105.93 -7.19 18.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.7 t 58.79 92.29 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.484 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 9.3 m-85 -122.35 -170.05 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.681 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.485 ' C ' HD22 ' A' ' 53' ' ' ASN . 8.2 m-20 -90.63 12.49 18.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.485 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 60.21 8.53 1.57 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.406 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -143.03 -10.14 0.77 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.716 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.84 149.86 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.28 136.27 40.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.811 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 11.3 p90 -169.73 146.48 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.835 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.8 m -127.61 122.08 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.539 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.596 ' SD ' HG21 ' A' ' 45' ' ' VAL . 1.8 mtm -99.42 153.97 18.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.724 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.496 ' HD3' HG23 ' A' ' 70' ' ' THR . 0.7 OUTLIER -134.14 118.64 17.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.68 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.761 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 20.9 p-90 -66.69 123.05 19.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.165 0.507 . . . . 0.0 111.218 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.563 HG12 ' N ' ' A' ' 67' ' ' ASP . 0.6 OUTLIER -72.34 151.54 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.319 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.632 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -86.49 -168.73 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.764 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -77.28 -8.49 57.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -116.1 2.52 13.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.069 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.411 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 91.47 57.17 1.57 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.632 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -125.99 93.01 44.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.596 0.236 . . . . 0.0 111.069 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.483 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 20.6 Cg_exo -65.27 93.3 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.69 2.26 . . . . 0.0 111.826 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.486 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 7.8 m -92.71 129.7 38.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.687 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.496 HG23 ' HD3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -47.05 126.49 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.535 -179.535 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.595 HG23 ' HB3' ' A' ' 76' ' ' GLU . 9.8 p -118.19 29.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.326 0.584 . . . . 0.0 110.845 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -78.8 30.38 0.2 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.247 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 m -134.99 145.77 48.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.724 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -65.13 -30.88 71.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 0.3 OUTLIER -82.04 -21.06 37.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.979 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.595 ' HB3' HG23 ' A' ' 71' ' ' VAL . 33.4 mm-40 -65.56 -55.62 16.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.605 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.073 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.89 -35.68 81.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.311 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.94 -31.18 68.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.697 179.152 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.718 ' HB1' HD11 ' A' ' 92' ' ' LEU . . . -60.95 -40.32 92.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.344 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -71.17 -34.59 71.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -63.08 -31.28 72.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.347 179.722 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.437 HD13 ' OE2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.705 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.815 0.34 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.718 HD11 ' HB1' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -74.89 95.42 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.543 ' HB2' HG22 ' A' ' 62' ' ' ILE . 31.1 mt -96.66 145.4 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.586 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.761 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 10.4 mt -143.02 161.95 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.738 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 5.0 m-70 -125.67 107.58 10.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.69 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 46.7 t -76.45 123.23 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.375 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.9 m-85 -119.12 123.95 28.54 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.34 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.35 121.14 7.23 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.614 2.209 . . . . 0.0 112.233 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.906 0.384 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.79 129.11 36.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 35.4 ttp180 -72.07 108.26 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.801 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.547 HG22 ' HB3' ' A' ' 92' ' ' LEU . 94.5 t -120.45 135.26 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.724 ' HD3' HD11 ' A' ' 93' ' ' LEU . 7.6 mttt -118.82 120.41 37.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.52 155.9 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 1.1 m-85 -141.09 68.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . 28.7 t80 -83.66 110.18 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 54.81 22.01 3.93 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.91 29.19 7.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.361 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -114.24 112.32 22.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.633 0.254 . . . . 0.0 110.807 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -87.3 109.42 19.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.7 mtt -115.66 146.1 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.771 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mm -88.97 119.21 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.4 t -147.93 129.03 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 18' ' ' ARG . 2.9 m-70 -115.41 151.05 35.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -134.2 -175.72 3.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.5 pt-20 -113.46 154.28 45.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.2 15.73 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.598 2.199 . . . . 0.0 112.589 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.75 -18.48 9.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 33' ' ' GLU . 7.0 tt -73.81 158.76 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.3 p -115.74 176.29 5.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -68.35 -25.12 64.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.59 -48.63 80.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.61 -16.14 79.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.352 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -15.76 61.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 110.815 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.5 t -74.77 -50.37 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.651 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -67.76 -21.93 65.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.585 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.89 -52.96 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.745 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.575 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 90.5 t -64.06 -30.03 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.825 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.424 ' NH2' ' HB2' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -75.31 -30.2 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.16 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.424 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 17.7 t70 -72.41 -31.54 65.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.133 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.575 ' HE3' ' HA ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -89.86 -35.56 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.28 -179.718 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -84.68 -13.49 51.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.065 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.89 89.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.013 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -122.22 -172.47 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.5 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.456 ' C ' HD22 ' A' ' 53' ' ' ASN . 12.4 m-20 -92.87 19.28 7.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.627 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.52 ' N ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER 60.97 10.7 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.342 179.402 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -141.71 -8.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.957 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.86 147.53 14.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.239 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -98.49 137.81 36.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -172.18 138.42 0.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.986 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.533 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 4.1 m -117.91 118.86 33.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.258 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -99.5 147.64 25.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -127.08 113.66 16.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.309 179.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.676 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 24.8 p-90 -56.29 120.5 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.473 0.654 . . . . 0.0 111.729 -179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.529 HG12 ' HG3' ' A' ' 68' ' ' PRO . 6.0 mt -70.84 134.85 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.005 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.427 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -73.55 176.47 6.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.718 179.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -21.73 66.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -100.05 -9.21 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.473 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 102.41 57.87 0.79 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.35 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.427 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -131.02 88.06 46.69 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.613 0.244 . . . . 0.0 111.361 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.529 ' HG3' HG12 ' A' ' 62' ' ' ILE . 32.7 Cg_exo -59.31 98.46 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.531 2.154 . . . . 0.0 112.011 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.463 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 3.0 t -98.2 135.33 40.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -46.81 110.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.447 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.529 HG23 ' HB3' ' A' ' 76' ' ' GLU . 9.1 p -103.57 32.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.1 38.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.036 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.41 167.9 21.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -83.76 -33.37 25.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.39 -22.55 41.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.14 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.529 ' HB3' HG23 ' A' ' 71' ' ' VAL . 19.0 mm-40 -64.95 -52.89 53.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.912 0.387 . . . . 0.0 110.713 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.13 -25.86 65.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.11 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.95 -36.56 69.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.262 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.97 -28.13 65.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.887 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -70.6 -37.98 73.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.463 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -66.96 -42.29 85.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -33.81 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.404 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 N--CA 1.462 0.142 0 CA-C-O 120.897 0.379 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.547 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.55 95.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.724 HD11 ' HD3' ' A' ' 20' ' ' LYS . 1.4 mp -105.8 148.97 26.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.676 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 13.5 mt -145.19 149.91 16.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -109.1 107.38 17.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 33.8 t -78.9 122.17 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.648 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.533 ' HB2' ' O ' ' A' ' 58' ' ' THR . 54.4 m-85 -117.95 119.85 33.24 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.405 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.95 149.17 65.29 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.437 2.091 . . . . 0.0 112.153 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 32' ' ' PHE . 60.8 tp60 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.647 0.261 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.15 124.67 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 2.0 mtt180 -72.84 108.27 5.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.774 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 6.3 t -116.18 136.01 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 93' ' ' LEU . 19.1 mtpt -127.92 117.55 21.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.742 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -86.81 161.86 18.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.169 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -129.24 83.12 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.57 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 55.3 t80 -83.79 98.98 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.771 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 57.84 27.18 14.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.032 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.74 44.59 3.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.693 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -136.76 113.95 10.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.6 107.01 13.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 mtm -107.83 128.66 54.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 mm -79.84 115.41 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 t -147.15 121.9 9.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -109.22 142.49 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.715 ' HB3' HG21 ' A' ' 36' ' ' ILE . 39.3 m-85 -122.05 134.0 54.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 36' ' ' ILE . 12.6 mt-10 -58.8 163.88 4.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.886 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -77.35 -0.1 10.28 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.395 2.063 . . . . 0.0 112.374 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.21 47.58 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.715 HG21 ' HB3' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -124.49 144.5 34.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.478 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -101.78 159.14 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.726 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.632 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 53.9 t80 -63.44 -22.89 67.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.775 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -51.86 68.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.781 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.53 -14.04 79.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.291 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.71 -10.54 47.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.086 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 t -76.04 -46.66 28.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.538 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -74.11 -26.12 60.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.521 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.58 -56.52 8.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.553 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 53.2 t -61.61 -36.32 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.546 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.468 HH21 ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -63.96 -28.42 69.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.638 179.587 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.468 ' HB2' HH21 ' A' ' 46' ' ' ARG . 23.4 t0 -73.55 -38.27 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.137 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.498 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -87.5 -11.43 48.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.222 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -106.61 -15.05 14.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.039 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 t 56.13 85.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -116.07 -172.92 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.655 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.445 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -89.49 17.51 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.874 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.469 ' N ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER 54.91 24.43 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.172 179.284 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -163.33 0.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.69 168.71 10.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.97 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' A' ' 99' ' ' CYS . 0.2 OUTLIER -115.93 140.07 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.681 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.51 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.3 p90 -169.36 137.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 2.1 m -112.7 117.44 32.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.366 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.466 ' SD ' HG22 ' A' ' 96' ' ' VAL . 0.9 OUTLIER -90.57 166.26 13.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.551 179.732 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 61.7 mttt -146.55 103.89 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.827 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.761 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 12.8 p-90 -62.87 126.77 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 0.0 111.209 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.752 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -67.65 146.84 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.149 -179.457 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.585 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -79.24 -162.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.973 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -81.49 -14.77 56.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.043 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.7 0.07 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.752 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 98.63 57.67 0.98 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.525 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.585 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -130.51 90.58 40.5 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.72 0.295 . . . . 0.0 111.13 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.506 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 36.2 Cg_exo -60.74 112.11 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.683 2.255 . . . . 0.0 111.819 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 1.7 t -112.21 145.4 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.936 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.483 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -43.67 118.38 1.38 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.498 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.748 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.7 p -115.99 27.67 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.941 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.75 49.09 1.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -155.04 146.07 22.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.741 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.632 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -66.27 -28.06 68.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.18 -24.67 34.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.288 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.748 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -62.1 -55.3 30.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.013 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.71 -29.3 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.054 0.454 . . . . 0.0 110.108 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.6 -35.31 79.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.344 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -72.55 -27.76 62.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.792 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.02 -26.98 61.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.735 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.14 -43.23 34.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 82' ' ' ARG . 1.6 ttp180 -65.3 -38.23 89.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.718 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.71 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 3.2 tt0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.745 0.307 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.31 131.28 42.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.511 179.698 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.472 ' C ' HG13 ' A' ' 94' ' ' ILE . 43.8 mt -126.7 145.94 50.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.997 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.761 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 14.2 mt -145.59 160.89 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.463 ' N ' HG22 ' A' ' 94' ' ' ILE . 3.7 m-70 -122.58 107.23 11.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.608 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.742 HG23 ' HB1' ' A' ' 21' ' ' ALA . 57.5 t -78.01 126.43 38.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 58' ' ' THR . 57.5 m-85 -121.18 122.2 28.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.78 113.62 3.71 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.557 2.171 . . . . 0.0 112.377 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.51 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 14.2 t . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.768 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.804 0.335 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.1 133.09 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -74.52 112.96 11.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 92' ' ' LEU . 57.8 t -121.76 143.93 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.194 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.874 ' HD2' HG13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -128.22 118.73 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.641 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.73 157.52 25.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -141.93 81.82 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.479 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 1.5 t80 -83.13 79.61 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.601 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 24' ' ' ARG . 3.4 ttt180 58.73 25.33 13.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.784 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.86 16.99 4.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.556 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -107.72 97.25 7.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.596 HG22 ' HG2' ' A' ' 20' ' ' LYS . 1.2 mt -84.1 92.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 mtt -104.02 122.82 46.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.013 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.874 HG13 ' HD2' ' A' ' 20' ' ' LYS . 2.8 mp -78.76 122.01 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -146.94 135.95 22.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.672 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -116.58 130.27 56.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.349 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -122.19 179.05 4.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.74 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.13 147.03 93.29 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.753 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.37 -7.32 18.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.463 2.109 . . . . 0.0 112.283 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m -117.64 31.81 6.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 37' ' ' SER . 0.6 OUTLIER -77.62 150.0 5.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.154 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -116.74 164.17 15.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.05 -22.83 67.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.6 -37.45 70.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.39 -25.09 44.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.885 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -12.1 60.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.319 . . . . 0.0 111.076 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.7 -42.03 43.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.579 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -79.88 -27.03 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.537 179.712 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.47 -45.14 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 48' ' ' MET . 48.3 t -66.18 -41.42 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.966 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.63 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -70.32 -21.37 62.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.778 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -80.09 -31.63 39.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -92.21 -12.1 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.213 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.9 t -116.16 -7.0 11.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.242 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.47 90.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.63 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 5.3 m-85 -114.76 -168.46 1.38 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.482 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.2 OUTLIER -104.89 10.56 34.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.789 179.827 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.482 HD22 ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 55.94 27.29 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.874 179.338 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -163.0 0.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -73.76 167.16 21.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.036 -179.528 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -104.27 143.83 32.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 13.2 p90 -176.03 149.99 0.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.602 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 2.2 m -132.86 116.1 16.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.432 . . . . 0.0 111.467 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.498 ' HG2' HG13 ' A' ' 96' ' ' VAL . 20.1 mtm -101.88 149.73 23.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.711 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.556 ' HB3' ' N ' ' A' ' 70' ' ' THR . 0.0 OUTLIER -135.03 114.16 12.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.691 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 31.7 p-90 -61.5 124.23 20.06 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.401 0.62 . . . . 0.0 111.746 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.529 HG23 ' HA2' ' A' ' 66' ' ' GLY . 1.9 mp -68.15 136.62 26.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.267 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -75.97 -155.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.676 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -30.33 24.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.249 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.42 15.65 25.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.238 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.529 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 79.16 61.66 2.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.136 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 11.6 m-20 -130.54 88.21 47.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.57 0.224 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HB3' ' HB2' ' A' ' 95' ' ' HIS . 35.1 Cg_exo -57.97 98.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.611 2.207 . . . . 0.0 111.738 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.532 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 17.5 m -100.11 130.14 46.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.556 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -44.91 118.64 1.7 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.613 -179.45 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.814 HG21 HD12 ' A' ' 77' ' ' LEU . 9.4 p -97.18 32.79 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.221 0.534 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.04 49.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.816 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.84 142.06 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.665 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -65.68 -30.68 71.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.063 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.14 -20.0 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.02 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.508 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -64.84 -55.13 21.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.814 HD12 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -65.04 -31.43 72.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.407 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -36.23 82.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.33 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 1.7 pt-20 -71.06 -27.62 63.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.121 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.39 80.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.69 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -63.77 -37.06 85.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.671 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 82' ' ' ARG . 11.1 ttt-85 -66.64 -27.33 67.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.804 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 121.002 0.43 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -77.17 93.88 4.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.746 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.496 ' C ' HG13 ' A' ' 94' ' ' ILE . 1.4 mp -100.58 151.86 21.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.691 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 8.7 mt -146.2 151.76 14.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.761 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -111.1 107.2 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.578 179.645 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.663 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 13.1 t -82.71 121.96 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.602 ' HB2' ' O ' ' A' ' 58' ' ' THR . 76.4 m-85 -117.04 136.18 23.25 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.108 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.435 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 87.6 Cg_endo -80.55 156.68 21.76 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.569 2.18 . . . . 0.0 112.084 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 3.6 m . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.609 ' HG3' ' HA ' ' A' ' 33' ' ' GLU . 87.9 mm-40 . . . . . 0 N--CA 1.461 0.123 0 CA-C-O 120.687 0.279 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -111.45 123.86 67.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.849 0.357 . . . . 0.0 110.843 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -73.16 123.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.777 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 92' ' ' LEU . 66.2 t -128.24 142.45 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -129.07 115.48 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.773 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.6 156.19 26.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 2.3 m-85 -130.52 78.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.75 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.6 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 31.5 t80 -83.42 102.38 12.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.46 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.555 ' HD3' ' HG3' ' A' ' 98' ' ' PRO . 48.2 mtm180 60.42 25.81 15.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.974 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.59 35.16 6.29 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.593 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.53 114.02 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.52 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -80.83 128.17 38.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.083 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 mtm -130.46 130.02 43.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mm -77.75 109.85 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 t -140.25 126.65 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -114.36 151.91 32.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.961 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -130.42 -125.2 0.21 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.991 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.609 ' HA ' ' HG3' ' A' ' 16' ' ' GLN . 1.1 pt-20 -146.92 160.12 41.32 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.796 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 33' ' ' GLU . 72.6 Cg_endo -77.36 31.64 0.43 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.566 2.177 . . . . 0.0 112.617 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.2 33.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.833 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.541 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 2.8 tp -98.67 144.0 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 36' ' ' ILE . 96.7 p -104.82 176.48 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.796 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -71.38 -26.35 62.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.824 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -46.4 90.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.0 -24.07 58.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.654 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -10.37 59.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -40.93 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -78.41 -25.54 46.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.632 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.05 -39.56 60.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.523 HG21 ' SD ' ' A' ' 59' ' ' MET . 42.5 t -70.6 -37.97 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -20.54 57.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.06 -29.83 34.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.515 ' HE3' ' HA ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.14 -31.71 16.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.993 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t -84.84 -5.84 59.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.7 t 57.16 90.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -121.16 -171.01 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.464 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -89.71 14.26 12.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.464 HD22 ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 54.41 27.37 8.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.156 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -165.58 4.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.09 170.4 16.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.232 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.49 138.4 50.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -167.77 150.77 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -129.0 119.18 23.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.538 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.523 ' SD ' HG21 ' A' ' 45' ' ' VAL . 12.2 mtm -91.6 168.3 11.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.916 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.504 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -147.6 102.99 3.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.795 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 17.4 p-90 -56.04 120.17 7.04 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.387 0.613 . . . . 0.0 111.632 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 93' ' ' LEU . 5.1 mt -70.1 141.14 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.477 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -81.61 -164.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.82 -20.61 45.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -110.84 17.89 20.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.037 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.498 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 78.85 60.21 2.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.315 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.477 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -131.17 86.09 52.2 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.618 0.247 . . . . 0.0 111.58 -179.678 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.3 Cg_exo -63.74 117.76 4.73 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.615 2.21 . . . . 0.0 111.56 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 71.2 m -118.12 143.72 46.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.021 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.466 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 6.5 p -49.09 107.55 0.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.601 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.578 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.9 p -98.5 25.55 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.716 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.6 m -80.82 59.36 3.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.34 144.25 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.796 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -29.22 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -28.94 37.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.578 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -61.26 -51.48 68.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.698 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.448 HD12 ' CG2' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -67.82 -27.61 66.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.151 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.17 -35.04 79.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.166 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -73.97 -30.01 62.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.761 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.01 95.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.694 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.404 ' CE2' HD23 ' A' ' 77' ' ' LEU . 21.8 m-85 -70.11 -36.17 74.65 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.505 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -27.93 69.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.274 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.432 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.81 0.338 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.498 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -75.3 120.66 21.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 179.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.5 ' HB3' HD12 ' A' ' 62' ' ' ILE . 88.6 mt -112.03 146.57 37.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.972 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.795 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 15.6 mt -146.93 158.57 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.639 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.485 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -118.66 106.7 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.713 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 42.9 t -78.72 121.9 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.914 0.387 . . . . 0.0 110.961 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.537 ' HB2' ' O ' ' A' ' 58' ' ' THR . 55.6 m-85 -117.87 130.65 24.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.555 ' HG3' ' HD3' ' A' ' 24' ' ' ARG . 79.5 Cg_endo -78.43 130.92 10.25 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.568 2.179 . . . . 0.0 112.243 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.047 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.467 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.787 0.327 . . . . 0.0 110.718 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -103.53 131.7 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.063 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.471 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 4.1 mtm180 -76.98 77.34 3.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.0 0.429 . . . . 0.0 109.938 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 92' ' ' LEU . 85.7 t -92.98 135.92 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.541 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.518 ' HB3' HG22 ' A' ' 27' ' ' ILE . 14.7 mttm -127.7 113.88 16.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.48 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -82.49 158.28 23.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.307 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -129.98 73.78 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.49 179.79 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.514 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . 25.8 t80 -83.8 115.73 22.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.846 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 55.93 24.65 7.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.86 46.2 5.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.354 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 3.6 t0 -140.47 122.78 15.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.749 0.309 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.518 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -83.43 121.54 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.093 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -117.72 128.18 54.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.0 mm -78.28 118.66 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.95 119.27 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 18' ' ' ARG . 3.4 m-70 -120.71 130.04 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.461 ' CE1' HG21 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -135.18 161.43 35.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.7 149.66 40.63 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.96 -23.94 33.92 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.555 2.17 . . . . 0.0 112.391 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.9 57.86 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 tt -133.44 146.51 31.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.76 168.1 10.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -62.39 -30.26 71.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -43.82 78.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.711 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.17 -24.34 76.58 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.426 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -10.42 57.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -45.16 25.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.577 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -74.77 -25.2 58.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.647 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.02 -57.22 4.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.782 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.462 HG13 ' HE3' ' A' ' 48' ' ' MET . 95.0 t -59.69 -30.46 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.644 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -79.49 -26.81 41.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.17 -29.62 61.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.462 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -89.98 -36.7 14.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -84.9 -15.9 42.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.01 -179.856 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.38 94.59 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.644 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 44.1 m-85 -115.72 -172.84 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.519 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.441 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -88.71 17.77 5.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.654 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.469 ' N ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER 56.97 22.81 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.909 179.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -160.71 -0.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 146.96 50.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.78 140.74 33.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.009 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -169.31 134.07 1.46 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.678 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.9 m -111.17 119.05 37.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.464 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 96' ' ' VAL . 17.9 mtm -96.84 160.69 14.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.817 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.502 ' HB3' ' N ' ' A' ' 70' ' ' THR . 0.0 OUTLIER -139.0 111.38 7.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.676 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.684 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 15.5 p-90 -60.01 121.64 12.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.321 0.581 . . . . 0.0 111.775 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.458 ' CG2' ' HA2' ' A' ' 66' ' ' GLY . 5.4 mt -69.86 135.1 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.85 -167.86 1.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -78.13 -19.19 54.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.079 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -107.49 15.4 24.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.458 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 76.94 60.48 2.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.032 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.59 87.63 49.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 N-CA-C 111.536 0.198 . . . . 0.0 111.536 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.49 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 37.3 Cg_exo -60.82 95.3 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.414 2.076 . . . . 0.0 111.817 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.45 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 40.1 t -88.96 124.97 34.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.965 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.502 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -47.79 113.74 0.77 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.549 -179.673 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.674 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.6 p -111.7 122.0 65.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.65 42.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.93 152.3 32.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -63.26 -29.57 70.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.69 -31.55 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.799 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.674 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -57.67 -56.24 24.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.42 HD12 HG21 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -65.68 -31.93 73.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.866 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 1.2 tp10 -61.06 -37.19 81.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.027 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -72.16 -28.31 63.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.729 179.302 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -69.32 -27.99 65.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.396 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -80.68 -41.62 23.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.408 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 82' ' ' ARG . 3.5 ttm180 -61.97 -41.43 98.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.624 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.509 179.75 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.806 0.336 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -90.61 105.17 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.497 ' C ' HG13 ' A' ' 94' ' ' ILE . 82.3 mt -95.12 146.56 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.785 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.684 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 9.8 mt -146.68 157.35 10.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -118.92 106.91 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.422 179.633 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.54 HG23 ' HB1' ' A' ' 21' ' ' ALA . 43.4 t -78.4 126.06 38.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.874 0.369 . . . . 0.0 111.151 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.54 ' HB2' ' O ' ' A' ' 58' ' ' THR . 56.9 m-85 -122.01 119.63 28.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.231 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.19 154.31 66.14 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.43 2.087 . . . . 0.0 112.041 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.889 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.772 0.32 . . . . 0.0 111.134 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.01 132.2 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HE ' ' HB2' ' A' ' 18' ' ' ARG . 6.9 ttm180 -77.39 110.23 11.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.756 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 46.0 t -121.36 133.06 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.481 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -128.28 112.65 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 179.68 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -82.07 159.88 23.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.388 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.566 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 14.0 m-85 -130.65 81.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.657 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 14.1 t80 -83.81 100.41 10.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.756 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.52 ' HD2' ' HG3' ' A' ' 98' ' ' PRO . 0.3 OUTLIER 55.21 31.49 16.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.077 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.16 50.54 2.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.606 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -145.64 109.53 4.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.686 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.496 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -77.58 115.42 19.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.321 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.0 mtt -109.6 123.45 49.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -78.57 112.55 16.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.279 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 t -149.23 128.69 13.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -113.93 154.71 27.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.044 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.519 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 37.2 m-85 -138.98 -172.05 3.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.764 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -106.09 149.83 38.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.679 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.71 -4.97 6.48 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.622 2.214 . . . . 0.0 112.52 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.86 56.38 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 37' ' ' SER . 3.2 tp -123.24 143.98 34.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.463 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -94.53 161.05 14.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.741 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -70.82 -30.45 66.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.53 -42.12 87.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.005 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.4 -15.16 81.75 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -9.7 52.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.319 . . . . 0.0 111.001 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.04 -47.55 20.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.61 -25.57 59.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.726 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.61 -53.95 16.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.474 HG13 ' HE2' ' A' ' 48' ' ' MET . 85.4 t -64.33 -34.33 68.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.631 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.483 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -72.41 -24.45 61.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.775 179.788 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -78.64 -34.31 46.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.474 ' HE2' HG13 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.7 -24.68 26.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 75.9 m -97.92 -15.91 19.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m 59.78 100.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.483 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 28.6 m-85 -129.9 -165.19 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 53' ' ' ASN . 8.2 t70 -101.26 14.37 32.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.808 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.459 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.2 m-80 61.79 8.87 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.44 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -138.23 -1.74 1.9 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.521 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 146.8 52.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.898 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.44 143.47 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.684 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -171.85 150.44 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.971 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -129.13 115.96 18.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.493 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -89.05 160.37 17.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.673 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 13.5 mttt -138.9 102.91 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.786 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.692 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 9.2 p-90 -63.37 126.85 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.252 0.549 . . . . 0.0 111.512 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.616 HG13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -68.11 140.54 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.737 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.627 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.9 OUTLIER -75.44 -149.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.002 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.09 -35.85 36.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.01 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.22 13.82 33.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.118 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.563 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 86.64 61.22 1.63 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.699 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.627 ' H ' ' H ' ' A' ' 63' ' ' ASP . 2.7 m-20 -124.07 89.69 51.49 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.7 0.286 . . . . 0.0 110.893 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.616 ' HG3' HG13 ' A' ' 62' ' ' ILE . 36.5 Cg_exo -57.97 115.37 2.48 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.705 2.27 . . . . 0.0 111.814 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.3 t -117.75 139.15 51.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.473 ' OG1' ' HE2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -56.74 109.22 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.373 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.527 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.3 p -105.73 104.84 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 p -132.06 38.43 3.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -146.38 144.25 29.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -63.4 -28.05 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 2.9 tt -82.26 -28.81 31.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.527 ' HB3' HG23 ' A' ' 71' ' ' VAL . 4.1 mm-40 -60.8 -48.22 82.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.18 -32.62 72.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.225 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -38.8 92.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.296 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.02 -28.05 64.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.058 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.97 86.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.539 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -69.82 -43.11 72.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.626 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -63.11 -35.54 80.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.813 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.85 0.357 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -76.94 113.3 14.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.482 ' C ' HG13 ' A' ' 94' ' ' ILE . 65.4 mt -108.87 145.64 35.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.973 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.692 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 12.4 mt -146.95 158.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.477 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.566 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 4.0 m-70 -118.69 106.9 13.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.74 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 67.8 t -77.06 124.34 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.985 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.565 ' HB2' ' O ' ' A' ' 58' ' ' THR . 64.7 m-85 -117.92 124.63 28.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.52 ' HG3' ' HD2' ' A' ' 24' ' ' ARG . 38.3 Cg_endo -65.7 146.35 83.72 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.517 2.145 . . . . 0.0 112.223 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.418 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 121.007 0.432 . . . . 0.0 111.187 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.521 HG13 HG23 ' A' ' 19' ' ' VAL . 11.0 p -73.11 141.65 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.52 107.18 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.666 HG22 ' HB3' ' A' ' 92' ' ' LEU . 91.8 t -125.44 140.68 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.817 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 93' ' ' LEU . 6.0 mtpt -130.23 120.27 24.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.819 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.526 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -82.11 164.49 21.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.28 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 0.7 OUTLIER -139.52 76.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.632 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.586 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 25.3 t80 -83.74 114.28 21.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 2.9 ptt85 53.8 12.82 0.45 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.709 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.89 41.96 1.75 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.642 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -136.74 122.47 19.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 110.798 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -82.23 127.69 39.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.446 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 1.7 mpp? -122.0 131.21 53.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.759 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.7 mm -83.24 112.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 t -147.23 132.76 18.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -118.16 134.5 54.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 31.3 m-85 -118.54 172.25 7.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.73 155.5 75.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.692 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.59 -12.25 27.32 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.516 2.144 . . . . 0.0 112.383 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 p -123.68 70.92 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.668 HG12 HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -124.92 147.35 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.68 163.55 13.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -63.63 -25.06 68.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.83 -58.47 7.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.78 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.13 -27.75 73.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.419 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.668 HD12 HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -66.2 -15.35 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.754 0.312 . . . . 0.0 110.765 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.25 -54.79 9.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.556 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.435 ' HB3' ' NH2' ' A' ' 46' ' ' ARG . 35.0 m-80 -66.01 -23.97 66.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.496 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.16 -57.04 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.48 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.527 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 89.9 t -62.33 -28.0 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.615 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.435 ' NH2' ' HB3' ' A' ' 43' ' ' ASN . 3.2 ttp180 -71.73 -34.53 69.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.837 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -32.73 67.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.91 -20.17 29.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.154 -179.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -97.87 -9.98 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.7 t 56.76 86.05 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -119.55 -174.44 2.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.662 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.479 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -89.69 12.58 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.696 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.479 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 61.84 9.65 3.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.255 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 3.3 mt-10 -139.24 -7.69 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.71 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.11 153.55 33.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.589 ' HB3' ' HB3' ' A' ' 99' ' ' CYS . 0.2 OUTLIER -103.92 140.77 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.415 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 7.3 p90 -168.29 144.71 3.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.522 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -122.9 118.02 26.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.737 -179.623 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.51 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 39.8 mtm -89.2 167.99 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.719 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.497 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 2.8 mttm -148.62 102.81 3.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.729 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.704 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 21.6 p-90 -54.32 117.5 3.34 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.455 0.645 . . . . 0.0 111.405 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 93' ' ' LEU . 10.3 mt -71.32 134.56 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.302 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.15 -162.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -39.84 50.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.252 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -92.12 13.81 17.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.252 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.517 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 82.85 63.82 1.72 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.308 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.82 81.77 66.31 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.564 0.221 . . . . 0.0 111.488 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.706 ' HG3' HG12 ' A' ' 62' ' ' ILE . 38.2 Cg_exo -59.87 115.75 2.83 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.549 2.166 . . . . 0.0 111.745 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 65.9 m -117.26 143.24 46.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.044 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -53.55 121.27 7.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.374 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.828 HG21 HD12 ' A' ' 77' ' ' LEU . 11.0 p -105.59 41.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.412 0.625 . . . . 0.0 111.096 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.0 p -81.34 30.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.897 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.6 138.01 25.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.676 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -62.3 -32.22 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 0.6 OUTLIER -72.17 -28.92 63.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.952 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.529 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -63.51 -45.89 88.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.002 0.429 . . . . 0.0 110.4 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -69.08 -28.22 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.036 179.418 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -38.42 74.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.417 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.6 -27.46 65.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.195 0.522 . . . . 0.0 109.975 179.45 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.498 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -68.63 -46.15 69.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.887 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -58.79 -41.68 87.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.617 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 82' ' ' ARG . 1.5 mtm-85 -65.81 -29.19 69.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 179.85 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.885 0.374 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.666 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -71.7 99.8 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.324 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 62' ' ' ILE . 74.0 mt -104.85 154.56 19.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.704 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 7.7 mt -147.24 156.94 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.406 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -118.93 106.68 12.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.613 179.762 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.7 t -78.61 123.47 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 58' ' ' THR . 53.1 m-85 -119.45 129.59 25.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.93 114.64 3.97 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.589 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 3.4 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.909 0.385 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.22 129.01 35.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.187 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -74.78 117.78 17.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.745 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 92' ' ' LEU . 40.0 t -124.95 141.36 45.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -127.63 119.98 27.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.739 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 28' ' ' MET . . . -81.89 142.82 32.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.599 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 6.0 m-85 -121.51 75.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.312 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 1.1 t80 -83.35 113.69 20.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.364 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.16 21.04 4.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.249 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.83 44.13 3.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.575 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.58 122.17 16.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 0.0 110.575 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.548 HG22 ' HB3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -73.85 142.52 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.572 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -136.48 135.0 38.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.692 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.4 mm -83.2 110.8 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -148.54 127.29 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -117.97 149.7 40.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.436 ' HE1' ' HG3' ' A' ' 44' ' ' GLU . 97.6 m-85 -135.07 164.63 27.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -90.31 151.79 44.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.672 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.05 -25.63 13.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.637 2.225 . . . . 0.0 112.627 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.23 57.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.01 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 37' ' ' SER . 5.2 tp -117.13 147.95 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.037 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.666 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -107.65 160.7 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.48 -33.32 75.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.666 ' HG2' ' HB2' ' A' ' 37' ' ' SER . 1.2 pt-20 -56.46 -51.33 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.54 -20.63 78.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.366 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.88 -16.99 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.352 . . . . 0.0 110.711 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -81.18 -44.02 18.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.666 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 72.8 m-20 -69.12 -27.08 65.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.333 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.436 ' HG3' ' HE1' ' A' ' 32' ' ' PHE . 13.2 mm-40 -75.47 -38.63 59.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.611 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.678 HG13 ' HE3' ' A' ' 48' ' ' MET . 27.9 t -71.04 -40.85 76.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.467 ' HA ' ' HD2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -72.9 -22.47 60.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.91 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 26.8 t70 -76.49 -41.49 46.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.678 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -79.08 -29.58 43.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.002 -179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.5 t -86.67 -6.18 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.98 88.58 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.467 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 6.3 m-85 -119.35 -168.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.678 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -85.63 14.89 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.423 . . . . 0.0 110.841 179.73 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.459 HD22 ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 54.95 21.42 3.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.18 179.363 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.41 ' H ' ' H ' ' A' ' 55' ' ' GLN . 7.0 tt0 -163.51 0.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.812 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.41 ' H ' ' H ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -65.77 159.82 24.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 -179.543 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.5 140.35 38.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.808 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.629 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 9.4 p90 -169.1 137.45 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 18.8 m -113.8 122.95 48.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.355 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.522 ' CE ' HG21 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -97.43 165.14 12.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.615 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.512 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -142.6 110.08 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.589 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.718 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 14.8 p-90 -59.32 124.05 18.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.317 0.579 . . . . 0.0 111.708 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.568 HG23 ' HA2' ' A' ' 66' ' ' GLY . 12.8 mt -68.01 131.72 33.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.663 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -70.55 -160.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -84.78 -15.98 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.982 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -115.7 19.04 15.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.183 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.568 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 77.41 59.57 3.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.308 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.663 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 7.3 m-20 -130.44 82.2 65.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.573 0.225 . . . . 0.0 111.023 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.536 ' HB3' ' HB2' ' A' ' 95' ' ' HIS . 53.1 Cg_exo -55.46 97.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.508 2.138 . . . . 0.0 111.847 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.432 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 44.6 t -94.89 133.97 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.747 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.38 110.12 0.16 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.626 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.622 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.2 p -101.33 29.11 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.433 ' HB3' HG23 ' A' ' 58' ' ' THR . 88.6 p -82.12 55.86 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.857 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.63 154.69 24.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.806 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -42.49 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -18.0 60.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.622 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 1.1 tp10 -65.41 -49.94 67.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tp -69.35 -31.1 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.122 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -38.52 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.141 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.31 -29.82 65.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.701 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.52 -30.6 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.863 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -72.36 -49.81 31.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.738 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -61.08 -40.99 95.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.751 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 179.769 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.844 0.355 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -82.53 117.65 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.535 ' C ' HG13 ' A' ' 94' ' ' ILE . 94.6 mt -113.75 141.52 47.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.509 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.718 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 3.2 mt -142.91 159.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.628 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.599 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -118.42 107.03 13.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.851 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 42.1 t -78.0 122.09 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.981 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 58' ' ' THR . 38.8 m-85 -123.63 113.99 28.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.629 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 38.1 Cg_exo -56.97 166.48 3.96 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.376 2.051 . . . . 0.0 112.23 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.87 179.939 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.23 166.69 3.09 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.562 2.174 . . . . 0.0 112.256 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.3 153.73 33.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.804 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.63 -71.8 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.543 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.08 11.91 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.718 0.294 . . . . 0.0 110.902 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -61.63 106.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -72.03 134.5 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -73.04 116.38 13.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.488 HG13 ' O ' ' A' ' 92' ' ' LEU . 29.2 t -123.07 127.94 74.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 117.08 29.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.574 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.7 161.91 19.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.0 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.457 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 2.7 m-85 -141.13 81.34 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.628 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 26.6 t80 -90.97 111.07 22.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.686 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 57.0 21.12 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.095 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.7 49.14 2.38 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.588 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 30.8 t70 -142.27 120.48 12.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.773 0.32 . . . . 0.0 110.778 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.574 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -84.01 130.78 35.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.29 136.44 52.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.4 mm -85.69 101.19 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.197 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.5 t -134.49 128.64 33.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -117.63 140.18 50.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.023 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -120.75 158.86 26.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.764 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.611 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 0.9 OUTLIER -71.36 157.56 89.8 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.53 -18.0 61.42 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.4 2.067 . . . . 0.0 112.216 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.8 m -111.58 42.8 1.63 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.611 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 1.2 tp -97.38 146.74 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.503 ' N ' HG13 ' A' ' 36' ' ' ILE . 60.3 p -109.77 171.16 7.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.577 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -74.66 -26.98 60.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -43.72 98.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.958 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.4 ' HA2' HD22 ' A' ' 43' ' ' ASN . . . -82.97 -18.44 65.21 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.523 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.499 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -70.7 -14.71 62.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.44 -40.69 29.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.748 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 0.8 OUTLIER -76.51 -23.61 53.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.52 179.781 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -40.04 54.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.727 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.619 HG13 ' HE3' ' A' ' 48' ' ' MET . 62.5 t -69.46 -37.62 75.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.456 HH11 ' HD3' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -76.64 -22.07 54.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.851 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 1.5 t0 -76.13 -43.23 44.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.842 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.619 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -74.37 -32.96 62.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.779 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.6 t -88.23 -10.26 50.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.2 m 57.33 89.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -116.62 -168.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.761 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.46 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -88.36 13.69 11.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.46 HD22 ' C ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER 55.7 25.4 8.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.144 179.38 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -165.08 -0.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.8 152.96 44.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.951 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.31 143.29 28.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.692 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.524 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 10.3 p90 -168.65 152.03 5.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -127.43 114.75 17.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.388 -179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.513 ' HG2' ' HA ' ' A' ' 96' ' ' VAL . 50.0 mtm -90.65 164.5 14.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.289 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.56 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 4.6 mttt -146.37 105.31 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.68 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.676 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 10.3 p-90 -63.05 124.23 20.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.323 0.582 . . . . 0.0 111.163 -179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.659 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -68.13 147.4 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.041 -179.53 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -80.93 -157.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' H ' ' HB3' ' A' ' 63' ' ' ASP . 15.5 pt-20 -83.47 -21.37 32.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -106.83 4.55 27.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.052 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.659 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 91.91 59.85 1.3 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.701 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 44.9 m-20 -130.25 92.75 35.01 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 120.585 0.231 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.56 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.1 Cg_exo -64.24 109.06 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.734 2.29 . . . . 0.0 111.669 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.8 t -115.43 148.98 38.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.145 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.14 121.01 3.04 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.45 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.77 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 5.4 p -107.57 20.71 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.113 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.1 t -80.51 59.26 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.681 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 14.0 t -160.4 143.3 13.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.765 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -36.1 81.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.994 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.91 -17.87 49.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.086 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.77 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.4 OUTLIER -66.17 -56.22 12.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.84 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tp -68.79 -29.02 67.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.991 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -37.81 87.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.077 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -72.23 -28.64 63.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.764 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.26 -38.21 68.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.388 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.1 -37.09 84.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.305 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -72.26 -29.49 63.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.502 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.628 ' HA ' ' HB2' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -69.08 -30.86 69.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.628 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.421 ' HA ' ' HB2' ' A' ' 90' ' ' SER . 63.2 t80 -56.03 -41.31 74.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -91.38 -17.59 25.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.025 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.628 ' HB2' ' HA ' ' A' ' 83' ' ' LEU . 1.3 mt -72.52 -16.04 61.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.81 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -142.76 59.04 1.43 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.791 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.6 mttp 61.13 -87.34 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.076 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.35 80.48 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.819 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -83.3 93.45 7.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.678 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -48.23 122.97 5.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.084 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.488 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -72.13 102.14 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.678 -179.831 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.493 ' C ' HG13 ' A' ' 94' ' ' ILE . 1.5 mp -107.78 144.84 34.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.676 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 8.5 mt -143.7 154.98 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.657 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.412 ' CD2' HD12 ' A' ' 62' ' ' ILE . 3.7 m-70 -114.35 107.44 15.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.816 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.628 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.2 t -78.19 124.26 36.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 58' ' ' THR . 71.8 m-85 -118.85 131.46 24.31 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.048 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.54 115.24 4.21 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.506 2.138 . . . . 0.0 112.344 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.524 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.132 0 CA-C-O 120.155 -0.247 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.46 150.05 51.19 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.514 2.143 . . . . 0.0 112.454 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 mp -124.17 85.91 2.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.825 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.3 65.68 0.57 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.552 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -170.42 -49.04 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.823 0.344 . . . . 0.0 110.663 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 31' ' ' HIS . 39.0 mt-30 -142.44 113.23 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.7 p -76.67 139.95 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.028 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 18' ' ' ARG . 16.0 ttp-105 -76.18 111.82 12.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.772 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.489 HG22 ' HB3' ' A' ' 92' ' ' LEU . 78.3 t -121.11 129.42 75.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HB2' ' HG ' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -114.48 115.71 27.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.674 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.63 158.24 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.8 OUTLIER -144.26 73.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.791 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.547 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 30.7 t80 -83.54 107.03 15.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.39 22.95 6.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.5 32.98 5.79 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.425 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -119.68 113.84 21.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.743 0.306 . . . . 0.0 110.722 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -84.18 105.8 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.192 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.57 129.74 55.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -78.61 119.29 27.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.055 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.462 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.2 t -148.78 130.67 15.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.037 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 16' ' ' GLN . 3.1 m-70 -116.85 135.75 53.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 111.142 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.412 ' HD2' HG21 ' A' ' 19' ' ' VAL . 67.7 m-85 -117.1 166.76 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -97.47 155.29 37.46 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -77.94 33.71 0.46 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.545 2.163 . . . . 0.0 112.624 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.27 11.53 1.53 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.495 HG22 ' O ' ' A' ' 33' ' ' GLU . 16.0 tt -104.51 143.68 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.152 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 p -90.38 177.87 6.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.423 ' CD1' HD13 ' A' ' 77' ' ' LEU . 72.5 t80 -76.02 -28.01 57.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.29 -45.39 88.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.716 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.7 -24.92 71.11 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.207 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -67.89 -14.31 62.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.879 0.371 . . . . 0.0 110.785 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.59 -36.53 37.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.275 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -79.18 -24.89 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.347 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -73.89 -40.69 63.02 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.746 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.476 HG21 ' CE ' ' A' ' 59' ' ' MET . 72.8 t -69.46 -39.68 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.955 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.69 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -76.33 -19.36 58.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.829 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -78.4 -34.13 48.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.738 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -88.35 -20.83 24.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.966 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.6 t -100.79 -4.11 28.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.1 m 57.24 89.51 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.69 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 3.1 m-85 -117.99 -170.75 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.649 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' C ' HD22 ' A' ' 53' ' ' ASN . 20.1 m-20 -91.58 10.98 25.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.618 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.496 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.2 m-80 63.72 0.72 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.755 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 52' ' ' ASP . 0.2 OUTLIER -142.61 2.61 1.42 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.882 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.52 152.3 45.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.823 0.344 . . . . 0.0 110.979 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.82 140.89 33.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.515 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 6.9 p90 -168.64 130.24 1.29 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.807 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.551 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 17.1 m -104.1 119.0 38.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.055 0.455 . . . . 0.0 111.47 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.476 ' CE ' HG21 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -94.78 167.91 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.75 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.508 ' HG2' ' N ' ' A' ' 70' ' ' THR . 17.0 mttt -145.22 102.77 3.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.786 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.74 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 10.6 p-90 -60.98 122.25 14.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.159 0.504 . . . . 0.0 111.504 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.609 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.4 OUTLIER -68.12 146.78 12.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.964 -179.813 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.623 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.6 OUTLIER -81.31 -168.15 1.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.894 -179.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -77.61 -10.06 59.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.731 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.01 -0.69 12.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.788 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.609 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 95.35 55.94 1.31 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.383 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.623 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 22.9 m-20 -128.33 91.39 44.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.644 0.259 . . . . 0.0 111.163 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.476 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 38.1 Cg_exo -60.85 117.29 4.04 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.783 2.322 . . . . 0.0 111.637 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -114.59 137.91 51.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.776 0.322 . . . . 0.0 111.143 -179.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.508 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 3.9 m -54.71 117.25 3.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.427 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.696 HG23 ' HB3' ' A' ' 76' ' ' GLU . 3.2 p -118.47 118.12 56.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.821 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 p -151.52 38.01 0.61 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.75 160.77 39.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.527 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -72.48 -33.25 66.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.02 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.36 -24.79 34.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.194 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.696 ' HB3' HG23 ' A' ' 71' ' ' VAL . 15.9 mm-40 -61.87 -59.78 4.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 38' ' ' PHE . 0.6 OUTLIER -65.2 -28.33 69.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.243 179.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.527 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 2.7 tt0 -66.7 -34.47 77.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.333 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -73.19 -28.45 62.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.717 179.393 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.468 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -69.66 -37.76 76.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.864 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.476 ' HA ' HD11 ' A' ' 92' ' ' LEU . 4.5 m-85 -66.18 -45.84 79.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -35.18 73.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.27 -38.08 89.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.732 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.443 ' HB2' HD12 ' A' ' 92' ' ' LEU . 86.9 t80 -64.0 -33.76 76.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -94.74 6.98 47.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.077 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.6 -34.33 10.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.941 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -121.22 50.96 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.753 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.6 mttm 63.69 -82.28 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.125 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.151 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.67 93.71 2.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.949 0.404 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.7 m -83.21 -11.04 58.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 59.23 100.71 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.047 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.489 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.3 92.76 1.43 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.826 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.542 ' C ' HG13 ' A' ' 94' ' ' ILE . 3.3 mp -106.01 149.13 26.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.76 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.74 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 4.5 mt -145.36 152.3 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.491 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 59' ' ' MET . 4.4 m-70 -110.85 107.07 16.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.521 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 46.7 t -79.44 120.9 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.998 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 58' ' ' THR . 60.0 m-85 -116.52 122.49 31.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.34 117.72 4.94 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.53 2.153 . . . . 0.0 112.386 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.515 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 4.8 t . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.18 -0.914 . . . . 0.0 111.035 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.098 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.5 -45.39 40.1 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.675 2.25 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.08 34.19 23.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.038 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.94 66.18 1.33 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.56 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.2 t -166.92 -49.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.871 0.367 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 9.6 pt20 -153.56 105.13 2.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.814 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.425 HG21 HD13 ' A' ' 92' ' ' LEU . 2.8 p -72.91 132.3 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.144 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 3.2 ttm180 -71.78 116.71 12.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.63 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 92' ' ' LEU . 85.6 t -128.83 142.47 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.6 116.72 18.5 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.691 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.05 163.56 19.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.261 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.429 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 2.0 m-85 -142.44 74.28 1.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.98 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 22.7 t80 -83.86 109.5 17.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.671 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 55.92 26.89 10.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.36 38.91 6.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.643 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.3 m-20 -129.62 119.41 23.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.335 . . . . 0.0 110.785 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.543 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -82.18 130.36 35.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.251 -179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.4 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -127.49 123.6 36.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.0 mm -79.25 105.71 9.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.1 t -138.42 136.28 36.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 16' ' ' GLN . 2.4 m-70 -118.88 135.68 54.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.976 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -120.39 178.92 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.62 150.42 69.85 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.739 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.27 -9.27 25.37 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.464 2.109 . . . . 0.0 112.401 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.11 47.04 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.8 tt -104.71 149.35 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.7 m -100.32 167.18 10.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -70.48 -27.48 64.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.765 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -58.9 -41.95 88.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.073 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.52 -21.45 58.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.598 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.45 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -68.26 -11.53 59.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.81 0.338 . . . . 0.0 111.029 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 36.4 t -81.78 -43.39 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.799 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.426 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 0.7 OUTLIER -71.6 -25.63 62.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.512 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.98 -43.6 53.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.787 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.481 HG11 ' SD ' ' A' ' 59' ' ' MET . 56.8 t -67.65 -40.74 84.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -70.64 -25.06 62.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.879 0.371 . . . . 0.0 110.789 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -70.24 -49.27 51.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -28.4 60.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 t -88.56 -9.08 53.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.974 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.5 t 59.39 95.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.012 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.525 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 12.4 m-85 -131.14 -179.59 5.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.69 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.465 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -90.67 14.32 13.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.763 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.465 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 59.37 13.18 3.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.202 179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -141.29 -12.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.99 158.55 6.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 -179.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.17 139.41 39.87 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.606 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 6.2 p90 -169.04 139.19 2.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.554 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -113.56 114.17 26.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.472 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.518 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 9.5 mtm -100.67 138.12 38.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.55 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.513 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -123.77 116.56 23.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 -179.788 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.732 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 11.4 p-90 -57.75 122.85 13.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.397 0.618 . . . . 0.0 111.765 -178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' ' 93' ' ' LEU . 6.8 mt -71.36 133.63 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.213 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.48 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -76.43 178.95 6.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.66 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.86 -31.49 72.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.772 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -92.25 -2.17 56.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.965 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.479 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 92.44 61.8 1.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.171 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.48 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -130.8 88.45 46.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 120.622 0.249 . . . . 0.0 111.155 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.513 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 32.0 Cg_exo -58.73 95.71 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.49 2.127 . . . . 0.0 111.715 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.498 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 12.5 m -96.85 134.15 40.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.424 HG23 ' HD3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -46.3 109.87 0.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.486 -179.494 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.869 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.2 p -94.14 26.15 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.063 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.6 56.9 2.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.052 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.603 ' HB3' ' HB2' ' A' ' 76' ' ' GLU . 13.4 t -162.15 142.9 10.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.577 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -63.61 -32.3 73.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.85 -21.66 37.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.197 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.869 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 3.2 tp10 -64.28 -47.66 78.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.477 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.412 HD12 HG21 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -70.44 -33.09 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.342 179.533 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -40.34 93.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.448 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.536 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -66.68 -32.27 73.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.178 179.574 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.536 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -62.74 -41.21 99.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.457 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.34 -38.78 90.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.175 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 5.8 ttp180 -68.11 -21.59 64.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.51 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.34 -35.85 58.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.204 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.61 -30.43 67.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -107.18 25.59 11.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.019 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -138.36 10.22 2.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.75 58.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.58 -94.9 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.25 80.64 1.94 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.905 0.383 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.5 t -88.09 88.14 7.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.809 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -58.27 134.22 56.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -71.98 99.95 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.812 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.489 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . 1.6 mp -109.43 149.54 29.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.526 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.732 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 34.0 mt -146.3 155.51 12.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.605 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.518 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -113.1 107.26 15.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.783 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 58.6 t -78.62 116.41 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.956 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.4 m-85 -113.9 117.54 43.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.127 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.25 107.98 2.25 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.427 2.085 . . . . 0.0 112.337 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.606 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.573 -0.211 . . . . 0.0 112.573 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.12 173.7 13.24 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.518 2.146 . . . . 0.0 112.366 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.05 -19.47 5.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.811 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.03 -83.9 1.05 Allowed Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.423 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.426 ' OG ' ' HG3' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -154.78 23.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.329 . . . . 0.0 110.866 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -64.64 115.08 4.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.1 p -72.57 132.45 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 18' ' ' ARG . 7.0 ttp180 -74.04 119.64 18.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.975 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 92' ' ' LEU . 48.4 t -128.09 138.41 54.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -126.46 117.6 23.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.883 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -81.48 154.19 26.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 4.9 m-85 -130.35 78.17 1.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.475 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.532 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 43.9 t80 -83.88 106.87 15.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.812 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.57 18.41 7.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.184 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.33 41.36 3.01 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.731 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -135.48 119.27 17.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.66 0.267 . . . . 0.0 110.799 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.475 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -78.08 128.43 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.198 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -124.07 133.2 53.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.73 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.3 mm -81.21 107.57 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.072 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -140.88 125.53 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.292 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -118.91 144.92 46.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.612 ' HB3' HG21 ' A' ' 36' ' ' ILE . 33.2 m-85 -123.47 171.04 9.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.4 153.08 73.79 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.659 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HG3' ' OG ' ' A' ' 15' ' ' SER . 61.2 Cg_endo -73.2 12.44 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.523 2.148 . . . . 0.0 112.493 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.52 31.9 0.8 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' A' ' 32' ' ' PHE . 3.5 tt -97.57 149.52 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.064 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.4 m -95.83 160.42 14.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -64.55 -21.62 66.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.943 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.23 -55.52 33.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.952 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -68.45 -15.83 68.69 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.585 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -68.82 -17.47 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.729 0.3 . . . . 0.0 110.973 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.6 t -70.51 -48.52 55.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 6.1 t30 -71.02 -24.85 62.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.287 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.13 -41.15 70.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.696 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 41' ' ' LEU . 86.4 t -71.76 -41.79 70.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.433 ' CG ' ' HA ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -70.85 -17.87 62.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.887 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 16.6 t0 -76.47 -50.97 12.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.41 -26.2 55.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.266 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.36 -12.47 34.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.061 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.71 92.86 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 8.8 m-85 -126.46 -170.79 2.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.753 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.447 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.1 OUTLIER -93.94 16.71 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.802 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.447 HD22 ' C ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER 55.1 23.46 5.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.151 179.226 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.84 -3.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.834 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.98 158.71 24.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.009 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.03 139.2 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.077 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.514 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.4 p90 -169.87 153.63 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.557 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 5.0 m -133.38 115.47 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.016 0.436 . . . . 0.0 111.796 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -90.98 162.23 14.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.318 179.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 12.2 mttt -144.22 103.77 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.922 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.78 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 8.0 p-90 -59.73 123.34 16.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.227 0.537 . . . . 0.0 111.036 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.587 HG22 ' HB2' ' A' ' 93' ' ' LEU . 0.8 OUTLIER -67.9 146.61 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.091 -179.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.728 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -81.79 -161.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' HA ' ' OD1' ' A' ' 89' ' ' ASP . 1.2 pt-20 -79.07 -20.97 47.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.63 15.56 21.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.564 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 81.12 60.68 2.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.529 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.728 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 30.5 m-20 -130.52 89.07 45.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 110.993 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.507 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 31.8 Cg_exo -59.1 110.98 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.633 2.222 . . . . 0.0 111.984 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 3.5 t -110.69 143.7 40.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.812 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.0 p -48.06 103.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.556 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.401 ' HB ' ' HD1' ' A' ' 61' ' ' TRP . 6.1 p -99.82 19.72 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.78 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.77 55.44 2.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -154.22 162.74 40.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.834 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -77.11 -37.87 53.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.52 -24.65 36.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.026 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.84 -60.95 3.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -63.74 -29.29 70.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.087 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.0 -34.29 77.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.993 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.491 ' HG2' ' N ' ' A' ' 80' ' ' ALA . 0.3 OUTLIER -72.47 -31.8 65.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.598 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.491 ' N ' ' HG2' ' A' ' 79' ' ' GLU . . . -64.6 -39.98 94.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.716 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -70.89 -30.81 67.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.337 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -66.23 -30.15 70.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.199 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mp -76.02 -35.18 59.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.411 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -64.41 -26.23 68.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.721 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -59.63 -46.9 87.63 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.578 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.26 1.76 55.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.488 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 57.19 48.44 15.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.373 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -77.77 -8.4 57.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 0.0 110.515 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.463 ' OD1' ' HA ' ' A' ' 64' ' ' GLU . 0.8 OUTLIER -144.42 -28.88 0.49 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.645 179.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.87 19.02 5.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.309 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -171.18 127.2 0.69 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.847 0.356 . . . . 0.0 111.045 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -94.53 109.85 21.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.747 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.587 ' HB2' HG22 ' A' ' 62' ' ' ILE . 64.0 mt -112.83 148.21 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.811 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.78 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 5.4 mt -144.28 162.04 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.655 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.482 ' N ' HG22 ' A' ' 94' ' ' ILE . 1.4 m-70 -122.24 106.81 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.382 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 24.4 t -79.11 128.38 38.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.392 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 58' ' ' THR . 79.1 m-85 -121.51 130.24 24.87 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.055 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.7 111.02 3.16 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.429 2.086 . . . . 0.0 112.345 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.514 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 1.2 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -74.79 125.7 9.61 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.72 2.28 . . . . 0.0 112.378 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.59 97.26 3.13 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 15' ' ' SER . . . -118.1 166.74 12.8 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.624 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.432 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 47.5 m 74.03 -33.53 0.26 Allowed 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 122.635 0.374 . . . . 0.0 111.627 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 25.6 mt-30 -152.17 102.72 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.43 139.47 18.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.067 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -79.53 115.94 19.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 42.5 t -128.28 134.15 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.237 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -122.71 117.42 25.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.632 179.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -81.95 157.12 24.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -131.89 78.14 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.526 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.529 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 61.5 t80 -83.56 104.76 13.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.953 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.09 29.23 12.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.235 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.14 53.67 2.3 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.551 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.48 117.49 5.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.369 . . . . 0.0 110.772 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -82.15 129.88 36.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 -179.791 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -127.52 134.1 49.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.79 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.6 mm -78.17 115.32 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.324 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.8 t -149.2 128.33 12.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.026 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -118.7 147.72 43.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.984 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 41.2 m-85 -128.43 -174.11 3.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.847 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 36' ' ' ILE . 37.3 mt-10 -101.54 151.25 37.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.979 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.37 -7.69 12.89 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.715 2.277 . . . . 0.0 112.202 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.9 t -131.11 58.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.996 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 33' ' ' GLU . 1.7 tt -125.38 144.74 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.13 156.59 19.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.483 ' HD1' HD22 ' A' ' 77' ' ' LEU . 40.4 t80 -67.67 -20.41 65.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -60.64 -41.33 94.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.701 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.35 -24.11 69.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.327 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -11.62 55.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.748 0.309 . . . . 0.0 110.843 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 t -77.84 -52.58 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -69.46 -29.28 66.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.575 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -64.96 -54.29 32.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.451 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.535 HG13 ' HE2' ' A' ' 48' ' ' MET . 43.1 t -61.11 -35.56 66.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.401 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 1.1 ttp180 -68.55 -29.61 68.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.712 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.24 -31.93 60.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.319 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.535 ' HE2' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.21 -13.01 33.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.084 -179.731 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.3 t -105.75 -10.01 16.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.8 m 59.58 93.97 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.525 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 14.9 m-85 -124.89 -166.16 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.473 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -99.36 14.75 28.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.757 179.609 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.473 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 61.7 7.53 1.97 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.393 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -142.85 -2.12 1.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.743 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.37 152.98 32.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.99 137.6 40.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.628 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.3 p90 -169.24 146.66 3.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.536 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 6.2 m -127.66 121.81 31.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.125 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.514 ' HG2' HG13 ' A' ' 96' ' ' VAL . 2.6 mtm -103.11 151.93 21.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.769 ' HE2' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -130.17 116.7 18.81 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.382 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.721 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 15.4 p-90 -59.74 121.47 11.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.339 0.59 . . . . 0.0 111.903 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.511 ' CG2' ' HA2' ' A' ' 66' ' ' GLY . 4.0 mt -67.84 130.54 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.628 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 5.5 t0 -71.3 -159.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.573 ' HG2' HD21 ' A' ' 87' ' ' ASN . 0.3 OUTLIER -79.67 -41.07 27.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.957 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -91.66 11.51 24.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.511 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 85.03 64.32 1.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.525 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.628 ' HB3' ' HB2' ' A' ' 63' ' ' ASP . 26.1 t0 -130.96 85.38 55.24 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-O 120.608 0.242 . . . . 0.0 111.302 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.496 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 46.7 Cg_exo -56.29 95.06 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.55 2.167 . . . . 0.0 112.096 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.449 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 10.5 t -85.19 128.1 34.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.653 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.769 HG23 ' HE2' ' A' ' 60' ' ' LYS . 5.1 m -53.53 107.92 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.416 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.647 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.6 p -114.41 118.0 57.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.908 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.434 ' HA ' ' CE2' ' A' ' 38' ' ' PHE . 11.3 m -149.65 21.47 0.91 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.2 m -127.17 153.15 46.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.803 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -66.16 -29.07 69.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.34 -22.69 35.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.647 ' HB3' HG23 ' A' ' 71' ' ' VAL . 5.2 mm-40 -67.27 -55.31 14.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.483 HD22 ' HD1' ' A' ' 38' ' ' PHE . 1.9 tp -65.65 -29.3 69.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.022 0.439 . . . . 0.0 109.999 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -63.42 -37.59 87.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.987 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.502 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -70.09 -29.73 66.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.712 179.147 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.502 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -65.14 -33.06 75.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.593 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -71.62 -42.37 67.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.581 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -37.66 84.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.727 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 tp -82.33 -22.63 35.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.127 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -65.38 -35.48 81.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.033 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -58.95 -34.0 71.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.994 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.66 89.2 2.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.573 HD21 ' HG2' ' A' ' 64' ' ' GLU . 2.1 t-20 -166.17 133.39 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.75 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -58.89 -20.69 53.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.794 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.38 -51.31 66.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.762 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.1 m 54.94 34.12 21.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.829 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -167.36 117.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.3 111.15 7.26 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.417 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.457 ' C ' HG13 ' A' ' 94' ' ' ILE . 47.1 mt -111.45 148.59 32.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.928 0.394 . . . . 0.0 111.263 -179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.721 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 19.1 mt -146.07 154.75 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.16 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.465 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -113.57 106.8 14.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.675 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 10.8 t -77.01 122.91 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.815 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.3 m-85 -119.82 120.88 30.13 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.436 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.52 107.3 2.27 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.561 2.174 . . . . 0.0 112.231 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.628 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 33.9 m . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.849 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.576 -0.21 . . . . 0.0 112.576 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.89 -19.14 11.17 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.594 2.196 . . . . 0.0 112.333 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' HB3' ' H ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER 57.51 -146.65 0.54 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.463 ' H ' ' HB3' ' A' ' 13' ' ' LEU . . . 88.72 33.79 9.71 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.112 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.04 -39.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.963 0.411 . . . . 0.0 110.458 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.488 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 18.5 mt-30 -146.3 103.0 3.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.778 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.98 130.89 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.991 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 -75.62 122.91 24.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.714 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 87.7 t -130.23 140.12 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.369 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.632 ' HD3' HD11 ' A' ' 93' ' ' LEU . 3.2 mttt -127.31 114.11 17.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.664 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.497 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -88.97 162.72 15.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.373 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.507 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 13.0 m-85 -133.1 76.23 1.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.506 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 8.3 t80 -83.35 112.43 19.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.661 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER 55.4 28.94 12.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.981 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.32 48.34 5.11 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.519 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -142.5 119.54 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.733 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -81.55 113.99 21.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.13 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mtm -112.57 130.62 55.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.821 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.5 mm -80.37 115.74 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.3 t -144.42 127.94 17.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.09 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -114.67 137.99 51.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.025 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.488 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 50.4 m-85 -119.83 -179.24 3.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.702 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.499 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 3.4 pm0 -107.68 151.62 41.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -61.06 -10.86 16.26 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.535 2.157 . . . . 0.0 112.623 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -113.08 48.46 1.03 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 111.249 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.499 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 9.4 tt -130.7 150.42 34.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.015 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.52 -174.88 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -78.89 -15.37 58.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.98 -58.66 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.52 -14.38 62.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.403 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.57 -11.47 60.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.755 0.312 . . . . 0.0 110.891 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.0 t -78.96 -54.43 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -69.48 -31.5 69.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.748 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -63.3 -54.81 31.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.649 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.532 HG13 ' HE3' ' A' ' 48' ' ' MET . 76.1 t -63.83 -39.19 84.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.616 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -61.88 -23.62 66.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.688 179.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.22 -43.6 27.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.532 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -83.77 -1.24 53.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 -179.862 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.6 m -117.58 -19.92 9.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.947 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.6 m 58.93 92.78 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.035 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -123.34 -166.01 1.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.65 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' C ' HD22 ' A' ' 53' ' ' ASN . 11.2 m-20 -93.34 14.45 18.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.608 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.481 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 62.25 5.84 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.3 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 7.0 mt-10 -141.7 -5.58 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.626 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.92 150.46 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.43 138.75 40.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.01 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.536 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 4.9 p90 -164.92 130.78 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.607 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.585 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 1.3 m -105.14 118.85 37.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.571 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.518 ' HE1' HG21 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -89.79 166.79 13.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.504 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.502 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 56.9 mttt -143.9 103.32 4.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.716 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.562 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 11.5 p-90 -60.95 123.99 19.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.176 0.512 . . . . 0.0 111.353 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.539 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -67.87 144.94 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.903 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.535 ' H ' ' H ' ' A' ' 67' ' ' ASP . 3.5 m-20 -85.5 -172.92 4.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -68.01 -17.41 64.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.716 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -111.62 18.88 18.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.539 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 71.54 54.32 8.84 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.371 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.535 ' H ' ' H ' ' A' ' 63' ' ' ASP . 8.2 t70 -123.51 92.44 48.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.709 0.29 . . . . 0.0 110.993 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.505 ' HG3' HG13 ' A' ' 62' ' ' ILE . 32.3 Cg_exo -61.82 104.99 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.668 2.246 . . . . 0.0 111.881 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.5 t -111.82 152.26 28.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.975 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -44.78 125.43 4.97 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.45 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' ' 71' ' ' VAL . 9.2 p -125.16 23.21 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.049 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -80.9 57.27 3.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.29 142.93 13.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -62.54 -30.86 71.61 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -23.34 36.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.088 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.88 -54.17 30.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.979 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tp -66.34 -25.69 66.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.983 0.42 . . . . 0.0 110.068 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.15 -35.79 71.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.203 179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -73.32 -23.83 60.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.858 179.346 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -74.1 -36.11 64.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.786 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -68.7 -45.1 72.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.716 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -36.72 81.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.406 HD23 HD21 ' A' ' 87' ' ' ASN . 0.4 OUTLIER -81.41 -20.52 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.707 179.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -64.65 -32.12 73.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -28.93 69.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.634 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.42 87.14 2.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.711 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.406 HD21 HD23 ' A' ' 83' ' ' LEU . 11.0 m-20 -164.72 135.86 4.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.853 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -58.58 -21.98 54.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.305 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -51.02 62.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.853 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.0 m 56.26 33.81 22.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.626 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -168.66 123.98 0.93 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.465 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -73.28 114.95 12.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.632 HD11 ' HD3' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -117.88 145.65 44.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.63 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.562 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 15.4 mt -144.97 157.04 13.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.694 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 4.4 m-70 -116.71 107.18 14.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.689 179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.531 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 61.8 t -77.51 123.41 34.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.585 ' HB2' ' O ' ' A' ' 58' ' ' THR . 69.4 m-85 -118.71 116.44 34.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.536 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 48.2 Cg_endo -68.82 114.99 3.73 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.412 2.075 . . . . 0.0 112.163 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.527 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 CA-C-O 120.187 -0.229 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.74 131.26 18.2 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.586 2.191 . . . . 0.0 112.432 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -129.15 59.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -95.51 70.18 1.02 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.69 -52.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.767 0.317 . . . . 0.0 110.857 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.517 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 2.2 pt20 -151.73 116.27 5.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.145 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 p -82.64 136.12 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -75.8 116.34 16.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 92' ' ' LEU . 90.7 t -126.04 139.97 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.497 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -128.85 108.32 10.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.466 179.592 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.6 163.06 23.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.492 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -136.32 79.79 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.667 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.54 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 45.8 t80 -83.69 100.4 10.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 56.77 29.48 16.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.967 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.78 37.32 5.28 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.583 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' HB3' ' SD ' ' A' ' 28' ' ' MET . 0.2 OUTLIER -126.56 111.13 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.827 0.346 . . . . 0.0 110.86 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.497 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -78.32 112.37 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.14 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.443 ' SD ' ' HB3' ' A' ' 26' ' ' ASP . 2.9 mpp? -114.98 111.78 21.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.401 HD12 ' N ' ' A' ' 29' ' ' ILE . 4.6 mp -79.86 97.43 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.041 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.2 t -127.98 138.75 52.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.832 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -116.54 145.82 43.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.88 0.371 . . . . 0.0 111.102 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.584 ' HB3' HD13 ' A' ' 36' ' ' ILE . 20.1 m-85 -128.41 -167.99 1.85 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.807 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -91.94 155.15 43.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.24 -15.89 52.19 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.436 2.091 . . . . 0.0 112.307 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 m -118.27 41.76 2.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.807 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.76 HG12 HD12 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -91.48 148.28 4.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.243 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.34 175.14 5.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.777 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -73.57 -34.27 65.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 40' ' ' GLY . 5.4 pt-20 -56.61 -39.71 74.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.781 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' N ' ' HG3' ' A' ' 39' ' ' GLU . . . -84.69 -26.96 36.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.3 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.76 HD12 HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -66.98 -17.3 64.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 0.0 110.759 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -40.29 51.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.216 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.1 -20.66 59.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.401 179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -78.14 -50.63 11.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 41' ' ' LEU . 79.1 t -64.62 -28.59 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.721 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.27 -31.23 54.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.847 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -72.4 -29.13 63.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.173 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.428 ' H ' ' HG3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -91.21 -31.64 16.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.177 -179.659 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.7 t -87.36 -13.34 43.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.143 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.22 82.04 0.09 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -103.16 -173.61 2.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.654 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -87.68 15.55 6.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.908 0.385 . . . . 0.0 110.526 179.578 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.53 ' N ' HD22 ' A' ' 53' ' ' ASN . 0.8 OUTLIER 58.01 24.02 10.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.951 179.417 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -162.74 5.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.684 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.76 151.41 36.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.068 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.405 ' HA ' HD13 ' A' ' 56' ' ' LEU . 2.2 mm? -100.75 144.52 29.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -174.82 142.77 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.649 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -122.5 119.92 32.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.296 -179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.79 167.53 13.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.555 179.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.573 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 68.4 mttt -148.02 103.75 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.105 -179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.813 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 18.9 p-90 -61.99 120.38 10.69 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.33 0.586 . . . . 0.0 111.009 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.599 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.3 OUTLIER -68.34 148.47 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.153 -179.502 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.605 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -81.15 -151.54 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.951 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' H ' ' HB3' ' A' ' 63' ' ' ASP . 8.6 pt-20 -85.95 -29.86 23.24 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.223 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.67 4.44 38.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.599 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 95.82 64.52 0.96 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.605 ' H ' ' H ' ' A' ' 63' ' ' ASP . 1.2 t0 -130.65 89.21 44.27 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 120.551 0.215 . . . . 0.0 111.233 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.573 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.6 Cg_exo -63.13 110.17 1.11 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.681 2.254 . . . . 0.0 111.808 179.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 42.6 t -110.23 138.66 46.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.929 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.496 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -52.44 110.01 0.45 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.423 -179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.776 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 7.4 p -95.7 26.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 7.4 t -79.49 45.41 0.67 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.1 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.04 143.69 23.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.653 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -43.72 98.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -22.47 62.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.776 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 1.2 tp10 -64.5 -61.26 2.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.468 HD12 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -62.78 -27.21 69.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.965 0.412 . . . . 0.0 110.053 179.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.4 -33.79 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.999 179.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.04 -27.42 61.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.7 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.02 87.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.678 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -66.07 -40.65 91.05 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.497 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -30.86 69.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.263 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.03 -30.09 58.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.309 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -69.33 -21.3 63.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.675 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -57.83 -41.27 81.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.609 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.6 mt -96.7 -2.25 44.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.442 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 56.86 52.87 8.82 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.071 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -78.65 -7.33 57.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.612 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.26 -23.12 1.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.539 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.2 m 62.2 9.75 3.38 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.413 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -175.82 143.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.732 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.512 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -93.18 99.43 12.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.675 179.764 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.532 ' HB3' HG22 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -95.94 140.7 30.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 -179.655 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.813 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 13.4 mt -144.43 157.02 14.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.503 ' NE2' HD12 ' A' ' 62' ' ' ILE . 5.9 m-70 -121.61 107.25 12.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 3.7 t -78.23 126.02 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.643 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 58' ' ' THR . 69.7 m-85 -120.55 122.63 28.51 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.387 -179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.47 131.93 19.73 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.527 2.151 . . . . 0.0 112.302 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 10.4 t . . . . . 0 C--O 1.251 1.134 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.863 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -57.42 -57.94 1.06 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.66 2.24 . . . . 0.0 112.182 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 mt 57.91 88.48 0.06 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.075 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.89 -57.65 5.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.298 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.513 ' HB3' ' HG3' ' A' ' 34' ' ' PRO . 72.8 m -152.92 21.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 110.318 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -75.65 115.11 14.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.753 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.413 HG23 ' CE2' ' A' ' 84' ' ' TYR . 7.4 p -71.93 137.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.212 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -79.77 114.65 18.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.697 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.519 HG13 ' O ' ' A' ' 92' ' ' LEU . 58.3 t -124.0 143.76 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.026 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.29 126.09 29.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.581 179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.587 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.14 162.16 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.392 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 0.6 OUTLIER -142.39 71.3 1.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.269 179.81 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 36.1 t80 -86.25 105.63 16.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.043 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.658 ' HE ' ' HG3' ' A' ' 98' ' ' PRO . 0.0 OUTLIER 53.04 32.96 13.82 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.197 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.05 44.7 4.68 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.74 109.13 8.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.725 0.297 . . . . 0.0 110.732 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.587 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -87.75 105.19 15.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 7.5 mtt -106.82 140.52 39.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.0 mm -86.13 109.91 19.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.62 125.58 29.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.823 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -114.36 137.92 51.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.985 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -119.65 -177.37 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.776 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 36' ' ' ILE . 5.1 mt-10 -114.14 154.24 46.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.572 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.513 ' HG3' ' HB3' ' A' ' 15' ' ' SER . 95.7 Cg_endo -78.74 40.04 0.87 Allowed 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.517 2.145 . . . . 0.0 112.63 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -154.27 17.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 33' ' ' GLU . 3.8 tt -106.93 147.0 12.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.206 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.4 p -96.16 175.77 6.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -79.74 -17.29 53.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -63.22 -42.92 99.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.064 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.3 -16.32 67.07 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.614 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -67.38 -11.41 57.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.764 0.316 . . . . 0.0 111.071 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.5 t -77.52 -44.63 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.875 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 10.9 m-20 -75.02 -23.69 58.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.635 179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.49 -43.08 51.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.672 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 41' ' ' LEU . 48.1 t -67.91 -36.32 75.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.945 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.589 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -77.56 -23.82 49.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.971 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.92 -37.04 70.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.091 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.99 -30.86 31.4 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.24 -7.17 45.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.11 90.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.08 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.589 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 8.5 m-85 -121.97 -177.63 3.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.736 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.509 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.3 OUTLIER -87.77 9.46 21.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.509 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 59.94 8.24 1.37 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.631 179.245 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -140.65 -7.6 1.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.05 170.19 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.264 -179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.78 142.58 40.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -169.49 158.92 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.547 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -139.59 114.83 9.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.429 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.539 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 12.5 mtm -88.89 162.31 16.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.445 ' HD3' ' N ' ' A' ' 70' ' ' THR . 1.0 OUTLIER -139.4 104.28 4.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.102 -179.717 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.547 ' N ' HG23 ' A' ' 94' ' ' ILE . 7.9 p-90 -69.27 142.14 54.21 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.246 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.515 HG23 ' HA2' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -81.4 136.0 23.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.077 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.511 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.5 OUTLIER -73.87 -156.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.099 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' H ' ' HB3' ' A' ' 63' ' ' ASP . 10.3 mt-10 -78.12 -24.45 47.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -107.6 14.57 25.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.98 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.515 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 78.78 60.37 2.62 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.344 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.511 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -120.89 91.17 47.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.585 0.231 . . . . 0.0 111.112 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.443 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 28.0 Cg_exo -61.84 88.18 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.582 2.188 . . . . 0.0 111.671 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.49 150.16 24.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.836 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.445 ' N ' ' HD3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -46.27 130.19 10.45 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.588 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.616 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 7.4 p -118.37 33.36 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.518 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.33 49.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.164 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.613 ' HB2' ' HB2' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -153.41 134.53 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.767 179.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -58.57 -33.18 69.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.38 -24.5 36.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.616 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -62.44 -56.99 12.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.544 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -65.61 -31.56 72.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.331 179.555 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -35.16 80.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.374 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.29 -27.02 61.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.852 179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.06 -44.08 85.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.662 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.511 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 8.9 m-85 -64.12 -42.61 96.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.443 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -60.94 -27.98 68.61 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.579 179.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.4 tp -81.93 -22.37 36.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.669 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.413 ' CE2' HG23 ' A' ' 17' ' ' VAL . 29.2 t80 -82.39 -22.92 35.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 81' ' ' PHE . 4.0 mm-40 -56.52 -30.67 63.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.13 -156.43 0.74 Allowed 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.35 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 46.41 40.22 7.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.085 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.14 -84.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.887 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -150.86 104.56 3.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.741 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -63.94 -16.51 61.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 56.15 90.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.798 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.519 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -72.35 82.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 -179.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' O ' ' HB ' ' A' ' 62' ' ' ILE . 37.7 mt -99.08 98.25 9.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.51 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.547 HG23 ' N ' ' A' ' 61' ' ' TRP . 3.0 mt -95.01 147.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.186 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.539 ' O ' ' HA ' ' A' ' 59' ' ' MET . 14.7 m-70 -110.36 107.41 17.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.594 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 16.6 t -76.53 126.94 37.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.795 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.547 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.1 m-85 -117.58 127.63 26.53 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.658 ' HG3' ' HE ' ' A' ' 24' ' ' ARG . 57.1 Cg_endo -71.18 109.7 2.64 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.464 2.11 . . . . 0.0 112.27 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.981 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -57.98 143.83 95.46 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.609 2.206 . . . . 0.0 112.252 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.08 66.78 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.782 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.51 66.78 1.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.452 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 98.6 p -159.06 -52.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.592 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 6.7 pt20 -167.93 127.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.857 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.5 p -77.84 136.73 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.061 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.439 ' HG2' ' HG2' ' A' ' 91' ' ' GLU . 4.4 ttt180 -72.81 106.26 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.673 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.617 HG13 ' O ' ' A' ' 92' ' ' LEU . 82.6 t -116.06 144.83 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.051 -179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD3' HD11 ' A' ' 93' ' ' LEU . 0.4 OUTLIER -134.18 116.76 15.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.777 179.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -84.51 160.33 20.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.42 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.449 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 2.4 m-85 -140.42 77.0 1.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.47 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.572 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 16.5 t80 -83.41 102.94 12.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.823 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 24' ' ' ARG . 0.3 OUTLIER 54.42 28.59 9.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.218 179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.17 39.32 4.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.19 110.94 12.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.725 0.297 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -84.94 118.54 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 mtt -124.16 124.86 43.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.78 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.6 mm -78.74 109.06 13.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.063 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 4.0 t -136.8 132.49 34.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 16' ' ' GLN . 3.7 m-70 -119.08 129.43 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.434 ' HE2' HG11 ' A' ' 19' ' ' VAL . 10.3 m-85 -113.91 143.28 44.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.712 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -61.18 146.14 88.88 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.747 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.62 -14.72 10.73 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.572 2.181 . . . . 0.0 112.553 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.5 m -107.2 59.55 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.902 0.382 . . . . 0.0 111.19 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 tt -131.14 147.61 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.78 176.47 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 94.0 t80 -74.5 -29.1 61.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -57.71 -58.04 10.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.42 -20.43 78.29 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.451 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -64.44 -17.17 63.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.774 0.321 . . . . 0.0 110.928 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.0 -47.62 28.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.469 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -67.81 -22.14 65.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.446 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -73.03 -55.18 6.87 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.685 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 41' ' ' LEU . 33.1 t -64.91 -21.79 30.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.755 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.436 HH21 ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -81.74 -27.9 33.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.742 179.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.436 ' HB2' HH21 ' A' ' 46' ' ' ARG . 21.8 t70 -74.07 -34.29 63.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.055 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.44 ' CE ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -84.68 -28.13 26.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t -94.1 -15.22 24.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.063 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.8 t 58.38 93.35 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.045 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.411 ' HB2' ' CG ' ' A' ' 46' ' ' ARG . 15.9 m-85 -124.16 -165.51 1.37 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER -94.91 13.0 26.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.506 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 63.29 0.51 0.8 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.585 179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -138.88 0.35 1.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.349 . . . . 0.0 110.811 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.95 153.62 33.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.151 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.412 HD13 ' H ' ' A' ' 57' ' ' PHE . 0.2 OUTLIER -97.89 140.55 32.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.696 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.544 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 12.2 p90 -171.95 145.99 1.94 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.581 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -126.29 117.18 22.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.309 -179.771 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.47 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 10.3 mtm -89.85 163.75 14.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.491 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.519 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 89.6 mttt -143.58 102.97 4.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.77 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.717 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 19.7 p-90 -58.58 121.49 11.1 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.307 0.575 . . . . 0.0 111.282 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.601 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -68.2 147.65 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.164 -179.676 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.578 ' H ' ' H ' ' A' ' 67' ' ' ASP . 1.5 t0 -83.46 -164.02 0.84 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.656 ' HG3' ' HG2' ' A' ' 65' ' ' GLU . 16.2 pt-20 -77.12 -16.97 58.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.773 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.656 ' HG2' ' HG3' ' A' ' 64' ' ' GLU . 13.7 mm-40 -114.34 17.76 17.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.601 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 77.38 58.43 3.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.387 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.578 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -127.61 91.72 44.85 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.652 0.263 . . . . 0.0 111.073 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.519 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 27.8 Cg_exo -62.21 117.3 4.15 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.775 2.317 . . . . 0.0 111.833 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.56 144.22 48.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.772 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.473 ' HA ' ' HG2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -43.96 126.32 4.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.387 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.598 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 5.7 p -123.14 18.43 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.039 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.36 57.9 3.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.994 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.99 156.9 36.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.679 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -36.19 67.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -22.75 36.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.002 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.598 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -59.56 -58.02 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.715 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.69 -25.86 68.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.991 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -69.08 -33.66 73.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.105 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -22.94 54.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.808 179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.2 -32.78 56.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.725 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -75.45 -37.69 60.16 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.477 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.2 mpp_? -66.91 -39.31 87.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.216 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.23 -30.35 68.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.244 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -83.68 -17.36 41.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.663 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -41.94 69.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.24 3.3 46.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.7 m120 58.13 44.07 19.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.051 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -70.45 -19.98 62.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.62 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -108.21 -96.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.6 p -177.47 -61.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.791 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' HG2' ' HG2' ' A' ' 18' ' ' ARG . 2.0 mp0 -146.98 148.69 31.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.677 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.617 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.24 82.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.512 ' C ' HG13 ' A' ' 94' ' ' ILE . 3.1 mp -91.96 143.56 26.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.39 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.717 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 3.2 mt -141.71 158.69 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.498 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -114.24 107.04 15.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.552 179.697 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 15.8 t -78.06 118.11 24.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 58' ' ' THR . 65.3 m-85 -113.3 123.53 33.18 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.68 117.82 4.88 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.59 2.193 . . . . 0.0 112.236 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.544 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.141 0 CA-C-O 120.204 -0.22 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.81 -40.06 81.69 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.61 2.207 . . . . 0.0 112.331 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.56 50.19 16.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -100.5 51.05 1.03 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.562 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 t -167.32 -41.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.686 0.279 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -140.85 158.87 43.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.222 -179.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -122.27 131.8 72.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.782 179.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.472 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -76.59 85.8 3.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.213 179.516 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 92' ' ' LEU . 10.0 t -109.2 150.19 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.635 -179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -140.47 125.3 18.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.534 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -85.1 167.91 15.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.004 0.431 . . . . 0.0 111.497 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.497 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 23.7 m-85 -141.64 75.95 1.52 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.245 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.609 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 23.2 t80 -83.54 100.93 11.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.057 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 52.86 36.71 22.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.213 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.84 51.28 3.26 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.437 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.96 108.18 4.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.75 0.309 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.528 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -81.29 116.06 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -113.59 136.71 52.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.5 mm -80.29 120.83 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t -148.4 124.55 10.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.371 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.534 ' HA ' ' O ' ' A' ' 17' ' ' VAL . 1.9 m-70 -114.95 106.42 14.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.618 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 62.5 m-85 -88.49 -176.27 5.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.231 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 36' ' ' ILE . 2.1 mt-10 -113.7 151.76 44.91 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.766 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.34 21.19 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.579 2.186 . . . . 0.0 112.586 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.1 11.07 2.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.163 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 33' ' ' GLU . 8.8 tt -98.53 140.59 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.169 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.33 161.45 22.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 72' ' ' SER . 58.1 t80 -70.28 -24.96 63.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.763 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -57.2 -48.29 79.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.658 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -76.33 -17.33 80.05 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.113 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -66.72 -14.22 62.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 110.871 179.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 t -77.92 -40.9 38.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.461 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.413 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 3.3 m120 -74.35 -26.12 59.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.191 179.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -76.54 -31.37 57.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.609 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 41' ' ' LEU . 24.1 t -76.65 -42.45 34.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.97 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' CG ' ' HA ' ' A' ' 43' ' ' ASN . 0.0 OUTLIER -69.21 -26.13 64.66 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.946 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.2 -38.3 56.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.435 ' HE2' ' HA ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -82.41 -20.13 37.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 t -102.14 -6.05 23.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.93 92.25 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -128.42 -170.32 2.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.727 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.443 ' C ' HD22 ' A' ' 53' ' ' ASN . 3.6 m-20 -89.87 16.12 8.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.795 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.443 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 55.36 22.08 4.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.194 179.489 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -159.67 0.78 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 150.43 49.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.537 HD23 ' HB3' ' A' ' 99' ' ' CYS . 3.1 tp -97.69 138.58 34.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.72 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -168.51 138.29 2.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.923 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -112.62 115.18 28.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.292 -179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.445 ' H ' ' HG3' ' A' ' 59' ' ' MET . 0.0 OUTLIER -100.06 148.41 24.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.031 179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.523 ' HB3' ' C ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -132.7 115.39 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.34 179.751 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.799 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 19.1 p-90 -62.68 120.21 10.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.325 0.583 . . . . 0.0 111.678 -179.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.521 HG13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -68.58 144.93 13.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.954 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.657 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -75.77 -156.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.012 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -81.4 -20.25 40.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.025 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -109.11 -2.79 17.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.096 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.499 ' C ' HG12 ' A' ' 62' ' ' ILE . . . 102.04 56.21 0.85 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.724 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.657 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 14.3 m-20 -121.41 93.76 48.72 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.587 0.232 . . . . 0.0 110.845 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.521 ' HG3' HG13 ' A' ' 62' ' ' ILE . 32.6 Cg_exo -61.85 110.09 0.91 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.647 2.231 . . . . 0.0 111.809 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.523 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 67.4 m -106.2 123.05 47.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.453 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 4.2 m -48.58 106.4 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.421 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.68 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.0 p -108.47 105.71 19.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.798 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.417 ' HA ' ' CE2' ' A' ' 38' ' ' PHE . 65.5 m -139.72 32.44 2.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.012 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.7 m -137.85 150.86 47.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -33.77 76.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.782 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.85 -25.97 56.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.68 ' HB3' HG23 ' A' ' 71' ' ' VAL . 3.8 mm-40 -61.7 -51.9 66.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.716 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.522 HD12 HG21 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -67.64 -32.98 74.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.365 179.54 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -60.7 -36.87 79.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.074 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -72.74 -30.12 63.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.758 179.132 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -66.05 -39.91 90.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.403 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -69.69 -32.23 70.73 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.271 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -71.65 -27.46 63.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.599 179.71 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.688 ' HA ' ' HB2' ' A' ' 86' ' ' LEU . 1.3 tp -77.95 -28.89 49.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.705 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.502 ' CE2' HG12 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -52.55 -40.73 62.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.941 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.72 -13.93 35.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.739 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.688 ' HB2' ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -71.42 -34.46 70.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.961 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -120.91 59.96 0.92 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.995 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.69 -91.13 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.17 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.23 62.13 1.58 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.941 0.4 . . . . 0.0 110.843 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.34 88.64 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.759 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -54.87 135.8 47.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.503 ' HB3' HG13 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -72.1 128.27 35.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.535 ' C ' HG13 ' A' ' 94' ' ' ILE . 73.5 mt -129.25 141.62 51.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.368 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.799 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 4.2 mt -142.06 157.1 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.025 -179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -116.48 107.47 14.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.568 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 27.6 t -78.95 117.19 24.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.011 0.434 . . . . 0.0 110.749 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 58' ' ' THR . 55.1 m-85 -112.38 126.5 28.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.15 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -72.68 148.59 47.29 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.598 2.199 . . . . 0.0 112.303 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.537 ' HB3' HD23 ' A' ' 56' ' ' LEU . 1.2 m . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.983 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.599 -0.2 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_endo -77.77 71.21 6.64 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.587 2.191 . . . . 0.0 112.518 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.576 ' HG ' ' HB2' ' A' ' 16' ' ' GLN . 1.7 tt -117.92 116.01 26.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.739 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -94.47 -59.03 1.17 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.404 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 t -142.68 13.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.933 0.397 . . . . 0.0 110.777 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.576 ' HB2' ' HG ' ' A' ' 13' ' ' LEU . 35.8 mt-30 -65.62 112.5 3.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.819 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.6 p -71.7 135.29 28.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.286 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 18' ' ' ARG . 17.4 mtm180 -80.61 111.17 16.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.668 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.427 HG13 ' O ' ' A' ' 92' ' ' LEU . 47.5 t -109.35 134.71 50.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.62 ' HD3' HD11 ' A' ' 93' ' ' LEU . 0.7 OUTLIER -119.03 116.14 25.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.638 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.59 159.63 25.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.479 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.7 OUTLIER -137.71 74.43 1.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.943 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.538 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -83.72 118.02 23.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.324 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 51.04 25.05 2.1 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.158 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.75 42.69 5.33 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.663 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 7.4 m-20 -135.23 122.11 21.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.734 0.302 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -80.39 137.7 21.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 -179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.428 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -133.42 140.26 47.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.4 mm -89.39 101.45 12.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.255 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.8 t -136.33 118.92 15.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.976 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -110.59 151.07 28.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.075 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.401 ' HB3' HG21 ' A' ' 36' ' ' ILE . 39.2 m-85 -128.72 160.45 32.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.976 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.672 ' HG2' ' HB ' ' A' ' 36' ' ' ILE . 2.8 pm0 -72.28 156.6 90.36 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.65 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.42 -2.0 8.35 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.409 2.073 . . . . 0.0 112.556 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.2 m -135.47 68.41 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.672 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 3.0 tt -134.34 149.66 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.9 164.55 11.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.801 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -68.73 -15.47 63.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -48.67 70.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.71 -15.35 75.69 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.526 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -71.23 -9.8 58.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.913 0.387 . . . . 0.0 110.909 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.6 t -74.58 -49.09 23.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.669 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -74.31 -26.7 60.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.67 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -66.66 -51.53 55.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.624 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.644 HG13 ' HE3' ' A' ' 48' ' ' MET . 94.2 t -66.33 -34.31 69.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.829 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.617 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.2 OUTLIER -73.4 -21.65 60.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.952 179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -78.86 -35.07 44.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.279 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.644 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.04 -20.61 21.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.495 -179.5 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.7 t -104.6 -17.29 14.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.367 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.1 m 59.42 98.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.138 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.617 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 14.5 m-85 -120.76 -169.7 1.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' C ' HD22 ' A' ' 53' ' ' ASN . 3.2 m-20 -87.05 11.45 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.464 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.0 OUTLIER 56.3 18.41 3.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.355 179.217 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.405 ' H ' ' H ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -168.43 0.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.121 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.405 ' H ' ' H ' ' A' ' 54' ' ' GLU . 3.9 pt20 -67.73 179.8 1.31 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.137 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.81 140.69 47.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.6 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 6.9 p90 -169.14 162.32 10.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.736 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.557 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -147.39 119.76 8.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.06 0.457 . . . . 0.0 111.715 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.507 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 4.3 mtm -100.05 147.14 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.455 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.496 ' HB3' ' C ' ' A' ' 69' ' ' CYS . 0.0 OUTLIER -127.14 111.01 13.5 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.921 -179.843 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.738 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 42.9 p-90 -59.39 121.3 11.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.262 0.553 . . . . 0.0 111.556 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.598 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.2 OUTLIER -67.84 151.38 10.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.208 -179.741 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.619 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -88.67 -159.28 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.037 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -75.74 -31.01 59.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.189 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -104.52 19.09 20.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.224 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.598 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 78.89 60.52 2.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.515 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.619 ' H ' ' H ' ' A' ' 63' ' ' ASP . 1.8 t0 -128.19 92.71 40.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.661 0.267 . . . . 0.0 111.029 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.466 ' HA ' ' HA ' ' A' ' 62' ' ' ILE . 27.6 Cg_exo -62.64 127.73 21.5 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.847 2.364 . . . . 0.0 111.949 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.496 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 9.8 t -120.9 126.98 51.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.882 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.2 m -48.1 117.83 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.605 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.838 HG23 ' HB3' ' A' ' 76' ' ' GLU . 1.4 p -123.68 110.72 26.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.784 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -146.37 28.31 1.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 m -135.55 153.64 51.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 1.7 tt0 -63.05 -30.17 71.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.957 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.86 -26.94 33.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.002 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.838 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -59.51 -61.84 2.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.628 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -27.48 69.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.052 0.453 . . . . 0.0 109.924 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.463 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 0.6 OUTLIER -65.14 -34.56 78.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.985 179.226 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -74.35 -27.4 60.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.757 179.248 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -72.56 -33.06 66.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.659 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -76.0 -37.32 58.61 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.702 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 78' ' ' GLU . 0.1 OUTLIER -66.09 -37.35 85.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.476 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 87' ' ' ASN . 7.7 mp -78.3 -24.74 46.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.469 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -64.78 -34.11 77.56 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.822 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -58.69 -36.99 75.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 mt -130.27 90.44 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.728 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 83' ' ' LEU . 4.4 t-20 -168.07 137.82 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.791 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -15.88 58.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.81 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.511 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 3.1 m-20 -67.16 -56.95 7.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.78 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 m 58.36 31.42 20.89 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 89' ' ' ASP . 8.2 pt-20 -162.89 116.82 1.68 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -76.13 108.35 8.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.716 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.62 HD11 ' HD3' ' A' ' 20' ' ' LYS . 2.0 mp -109.23 145.42 35.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.729 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.738 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 6.6 mt -143.41 155.42 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.773 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.507 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -112.09 107.23 16.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.7 179.804 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.538 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.8 t -76.64 125.25 36.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.326 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' A' ' 58' ' ' THR . 54.8 m-85 -124.3 92.35 48.26 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.347 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.6 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 83.0 Cg_endo -77.28 126.79 8.71 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.502 2.134 . . . . 0.0 112.381 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.825 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.86 -37.28 35.51 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.659 2.239 . . . . 0.0 112.281 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mt -128.21 8.2 6.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.55 51.74 3.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.387 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.69 -40.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.753 0.311 . . . . 0.0 111.074 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -145.47 114.25 6.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.204 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.8 p -77.53 144.38 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 18' ' ' ARG . 0.5 OUTLIER -75.78 117.18 17.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.848 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.487 HG22 ' HB3' ' A' ' 92' ' ' LEU . 47.7 t -128.19 138.93 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.055 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.0 OUTLIER -133.87 113.78 12.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.767 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -80.42 156.47 26.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.007 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.527 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 7.5 m-85 -131.51 82.57 2.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.784 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 30.2 t80 -83.58 99.4 10.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 56.91 26.53 11.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.987 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.38 38.51 3.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.57 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -127.83 109.31 11.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.703 0.287 . . . . 0.0 110.824 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.454 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -79.81 110.85 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.528 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 3.2 tpp -111.08 125.75 54.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.661 179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 mm -77.81 117.58 23.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.335 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.407 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 3.4 t -149.21 126.57 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.869 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -114.22 127.04 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.019 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -116.44 163.46 16.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -86.25 156.79 56.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.522 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -77.24 57.03 5.71 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.509 2.139 . . . . 0.0 112.579 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.29 27.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.824 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.515 HG13 ' N ' ' A' ' 37' ' ' SER . 1.1 tp -108.68 147.01 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.515 ' N ' HG13 ' A' ' 36' ' ' ILE . 1.7 p -102.26 -179.53 4.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -75.88 -30.22 58.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.22 -64.06 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.69 -22.42 69.93 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.398 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -69.75 -12.34 61.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.697 0.284 . . . . 0.0 110.891 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.8 -42.01 28.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.537 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.424 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 67.3 m-80 -74.88 -24.7 58.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.532 179.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -75.31 -39.43 59.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.651 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.596 HG21 ' SD ' ' A' ' 59' ' ' MET . 55.8 t -71.51 -37.59 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -74.5 -23.33 58.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 110.821 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.15 -29.72 43.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.528 ' SD ' ' HG2' ' A' ' 28' ' ' MET . 0.0 OUTLIER -91.21 -19.22 23.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.041 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.9 t -105.93 -7.19 18.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.075 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.7 t 58.79 92.29 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.484 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 9.3 m-85 -122.35 -170.05 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.681 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.485 ' C ' HD22 ' A' ' 53' ' ' ASN . 8.2 m-20 -90.63 12.49 18.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.485 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 60.21 8.53 1.57 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.406 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -143.03 -10.14 0.77 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.716 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.84 149.86 17.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.015 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.28 136.27 40.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.811 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.47 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 11.3 p90 -169.73 146.48 3.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.835 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.8 m -127.61 122.08 32.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.539 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.596 ' SD ' HG21 ' A' ' 45' ' ' VAL . 1.8 mtm -99.42 153.97 18.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.724 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.496 ' HD3' HG23 ' A' ' 70' ' ' THR . 0.7 OUTLIER -134.14 118.64 17.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.68 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.761 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 20.9 p-90 -66.69 123.05 19.02 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.165 0.507 . . . . 0.0 111.218 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.563 HG12 ' N ' ' A' ' 67' ' ' ASP . 0.6 OUTLIER -72.34 151.54 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.319 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.632 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -86.49 -168.73 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.764 179.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 88' ' ' LYS . 1.3 tm-20 -77.28 -8.49 57.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -116.1 2.52 13.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.069 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.411 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 91.47 57.17 1.57 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.481 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.632 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 0.6 OUTLIER -125.99 93.01 44.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 120.596 0.236 . . . . 0.0 111.069 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.483 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 20.6 Cg_exo -65.27 93.3 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.69 2.26 . . . . 0.0 111.826 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.486 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 7.8 m -92.71 129.7 38.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.687 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.496 HG23 ' HD3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -47.05 126.49 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.535 -179.535 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.595 HG23 ' HB3' ' A' ' 76' ' ' GLU . 9.8 p -118.19 29.93 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.326 0.584 . . . . 0.0 110.845 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -78.8 30.38 0.2 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.247 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.4 m -134.99 145.77 48.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.724 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -65.13 -30.88 71.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 0.3 OUTLIER -82.04 -21.06 37.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.979 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.595 ' HB3' HG23 ' A' ' 71' ' ' VAL . 33.4 mm-40 -65.56 -55.62 16.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.605 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.72 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.073 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.89 -35.68 81.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.311 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.94 -31.18 68.79 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.697 179.152 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.718 ' HB1' HD11 ' A' ' 92' ' ' LEU . . . -60.95 -40.32 92.88 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.344 179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -71.17 -34.59 71.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.579 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -63.08 -31.28 72.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.347 179.722 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.437 HD13 ' OE2' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -81.62 -27.79 34.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.705 179.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 18.1 t80 -66.53 -26.96 67.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -57.01 -45.7 82.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.588 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -91.57 -1.86 57.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.381 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.8 m120 57.96 72.95 0.49 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.412 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 14.7 mttm -103.09 8.95 38.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.307 179.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -155.37 -38.03 0.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.581 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.75 18.6 3.84 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.302 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -171.64 104.55 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.718 HD11 ' HB1' ' A' ' 80' ' ' ALA . 0.1 OUTLIER -74.89 95.42 2.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.543 ' HB2' HG22 ' A' ' 62' ' ' ILE . 31.1 mt -96.66 145.4 25.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.586 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.761 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 10.4 mt -143.02 161.95 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.738 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.527 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 5.0 m-70 -125.67 107.58 10.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.69 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 46.7 t -76.45 123.23 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.375 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 58' ' ' THR . 59.9 m-85 -119.12 123.95 28.54 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.34 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -72.35 121.14 7.23 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.614 2.209 . . . . 0.0 112.233 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 12' ' ' PRO . . . . . . . . 0 N--CA 1.489 2.185 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD3' ' HA2' ' A' ' 11' ' ' GLY . 46.9 Cg_exo -56.24 -39.13 93.25 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.692 2.262 . . . . 0.0 112.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.43 123.91 17.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.992 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.78 138.75 19.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.665 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.493 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 6.2 t 57.07 24.74 9.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.736 0.303 . . . . 0.0 111.104 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -141.15 82.06 1.82 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 110.963 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.79 129.11 36.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.411 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 35.4 ttp180 -72.07 108.26 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.801 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.547 HG22 ' HB3' ' A' ' 92' ' ' LEU . 94.5 t -120.45 135.26 61.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.16 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.724 ' HD3' HD11 ' A' ' 93' ' ' LEU . 7.6 mttt -118.82 120.41 37.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.52 155.9 26.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.039 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 1.1 m-85 -141.09 68.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.598 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . 28.7 t80 -83.66 110.18 18.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 54.81 22.01 3.93 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.91 29.19 7.8 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.361 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.485 ' HB2' ' O ' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -114.24 112.32 22.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.633 0.254 . . . . 0.0 110.807 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.535 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -87.3 109.42 19.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 10.7 mtt -115.66 146.1 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.771 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 12.5 mm -88.97 119.21 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.4 t -147.93 129.03 14.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 18' ' ' ARG . 2.9 m-70 -115.41 151.05 35.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -134.2 -175.72 3.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 36' ' ' ILE . 7.5 pt-20 -113.46 154.28 45.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 15' ' ' SER . 73.0 Cg_endo -75.2 15.73 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.598 2.199 . . . . 0.0 112.589 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.75 -18.48 9.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.466 HG22 ' O ' ' A' ' 33' ' ' GLU . 7.0 tt -73.81 158.76 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.3 p -115.74 176.29 5.15 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -68.35 -25.12 64.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -60.59 -48.63 80.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.61 -16.14 79.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.352 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -15.76 61.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 110.815 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.5 t -74.77 -50.37 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.651 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -67.76 -21.93 65.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.585 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.89 -52.96 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.745 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.575 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 90.5 t -64.06 -30.03 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.825 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.424 ' NH2' ' HB2' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -75.31 -30.2 60.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.16 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' HB2' ' NH2' ' A' ' 46' ' ' ARG . 17.7 t70 -72.41 -31.54 65.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.133 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.575 ' HE3' ' HA ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -89.86 -35.56 15.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.28 -179.718 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.535 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -84.68 -13.49 51.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.065 -179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.89 89.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.013 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -122.22 -172.47 2.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.5 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' C ' HD22 ' A' ' 53' ' ' ASN . 12.4 m-20 -92.87 19.28 7.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.627 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.52 ' N ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER 60.97 10.7 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.342 179.402 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -141.71 -8.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.957 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.86 147.53 14.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.239 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -98.49 137.81 36.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -172.18 138.42 0.98 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.986 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.533 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 4.1 m -117.91 118.86 33.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.258 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.433 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -99.5 147.64 25.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.957 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.486 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -127.08 113.66 16.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.309 179.841 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.676 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 24.8 p-90 -56.29 120.5 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.473 0.654 . . . . 0.0 111.729 -179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.529 HG12 ' HG3' ' A' ' 68' ' ' PRO . 6.0 mt -70.84 134.85 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.005 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.427 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -73.55 176.47 6.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.718 179.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -21.73 66.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -100.05 -9.21 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.013 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.473 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 102.41 57.87 0.79 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.35 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.427 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -131.02 88.06 46.69 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.613 0.244 . . . . 0.0 111.361 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.529 ' HG3' HG12 ' A' ' 62' ' ' ILE . 32.7 Cg_exo -59.31 98.46 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.531 2.154 . . . . 0.0 112.011 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.463 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 3.0 t -98.2 135.33 40.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -46.81 110.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.447 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.529 HG23 ' HB3' ' A' ' 76' ' ' GLU . 9.1 p -103.57 32.62 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.1 38.11 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.036 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.41 167.9 21.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -83.76 -33.37 25.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.128 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.39 -22.55 41.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.14 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.529 ' HB3' HG23 ' A' ' 71' ' ' VAL . 19.0 mm-40 -64.95 -52.89 53.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.912 0.387 . . . . 0.0 110.713 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.13 -25.86 65.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.11 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -71.95 -36.56 69.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.262 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.97 -28.13 65.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.887 179.4 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -70.6 -37.98 73.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.463 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -66.96 -42.29 85.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.67 -33.81 76.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.417 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 86' ' ' LEU . 0.8 OUTLIER -68.09 -29.97 69.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.404 179.618 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -57.75 -36.54 72.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.999 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -89.67 -15.16 33.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.058 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -66.48 -29.97 70.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -125.06 -152.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.568 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -75.41 -37.31 60.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.794 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 90' ' ' SER . 0.5 OUTLIER -165.52 -49.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.76 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.515 ' HB2' ' O ' ' A' ' 89' ' ' ASP . 52.0 m 73.62 -31.25 0.22 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.576 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.428 ' H ' ' C ' ' A' ' 89' ' ' ASP . 6.6 mt-10 62.5 111.7 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.897 0.379 . . . . 0.0 111.231 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.547 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.55 95.01 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.724 HD11 ' HD3' ' A' ' 20' ' ' LYS . 1.4 mp -105.8 148.97 26.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.835 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.676 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 13.5 mt -145.19 149.91 16.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.4 OUTLIER -109.1 107.38 17.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.935 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 33.8 t -78.9 122.17 33.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.0 110.648 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.533 ' HB2' ' O ' ' A' ' 58' ' ' THR . 54.4 m-85 -117.95 119.85 33.24 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.405 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -69.95 149.17 65.29 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.437 2.091 . . . . 0.0 112.153 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.167 -0.92 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.7 174.68 11.86 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.55 2.166 . . . . 0.0 112.373 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD21 HG22 ' A' ' 29' ' ' ILE . 0.3 OUTLIER 58.44 95.1 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.088 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.26 -140.61 1.28 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.392 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.3 t -146.11 20.45 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.67 0.271 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 32' ' ' PHE . 60.8 tp60 -78.19 -86.75 0.06 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.008 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.3 p -115.15 124.67 71.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.057 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 2.0 mtt180 -72.84 108.27 5.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.774 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.549 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 6.3 t -116.18 136.01 54.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 93' ' ' LEU . 19.1 mtpt -127.92 117.55 21.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.742 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -86.81 161.86 18.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.169 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -129.24 83.12 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.57 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 55.3 t80 -83.79 98.98 10.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.771 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 57.84 27.18 14.18 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.032 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 95.74 44.59 3.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.693 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -136.76 113.95 10.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.851 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -81.6 107.01 13.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.03 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.3 mtm -107.83 128.66 54.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.525 HG22 HD21 ' A' ' 13' ' ' LEU . 16.7 mm -79.84 115.41 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.9 t -147.15 121.9 9.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -109.22 142.49 39.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.715 ' HB3' HG21 ' A' ' 36' ' ' ILE . 39.3 m-85 -122.05 134.0 54.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.467 ' O ' HG22 ' A' ' 36' ' ' ILE . 12.6 mt-10 -58.8 163.88 4.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.886 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -77.35 -0.1 10.28 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.395 2.063 . . . . 0.0 112.374 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -126.21 47.58 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.108 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.715 HG21 ' HB3' ' A' ' 32' ' ' PHE . 0.7 OUTLIER -124.49 144.5 34.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.096 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.478 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -101.78 159.14 15.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.726 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.632 ' HB3' ' HA ' ' A' ' 74' ' ' GLN . 53.9 t80 -63.44 -22.89 67.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.775 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.12 -51.86 68.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.781 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.53 -14.04 79.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.291 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.71 -10.54 47.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 0.0 111.086 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 t -76.04 -46.66 28.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.538 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -74.11 -26.12 60.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.521 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.58 -56.52 8.0 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.553 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.513 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 53.2 t -61.61 -36.32 72.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.546 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.468 HH21 ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -63.96 -28.42 69.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.638 179.587 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.468 ' HB2' HH21 ' A' ' 46' ' ' ARG . 23.4 t0 -73.55 -38.27 65.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.137 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.498 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -87.5 -11.43 48.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.222 -179.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.1 OUTLIER -106.61 -15.05 14.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.039 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.7 t 56.13 85.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.721 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -116.07 -172.92 2.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.655 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -89.49 17.51 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.874 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.469 ' N ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER 54.91 24.43 5.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.172 179.284 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -163.33 0.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.69 168.71 10.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.97 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.441 ' HB3' ' O ' ' A' ' 99' ' ' CYS . 0.2 OUTLIER -115.93 140.07 49.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.681 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.51 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 11.3 p90 -169.36 137.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.563 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 2.1 m -112.7 117.44 32.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.366 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.466 ' SD ' HG22 ' A' ' 96' ' ' VAL . 0.9 OUTLIER -90.57 166.26 13.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.551 179.732 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.506 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 61.7 mttt -146.55 103.89 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.827 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.761 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 12.8 p-90 -62.87 126.77 28.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.106 0.479 . . . . 0.0 111.209 -179.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.752 HG12 ' HA2' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -67.65 146.84 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.149 -179.457 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.585 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -79.24 -162.13 0.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.973 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -81.49 -14.77 56.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.043 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.7 0.07 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.752 ' HA2' HG12 ' A' ' 62' ' ' ILE . . . 98.63 57.67 0.98 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.525 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.585 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -130.51 90.58 40.5 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.72 0.295 . . . . 0.0 111.13 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.506 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 36.2 Cg_exo -60.74 112.11 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.683 2.255 . . . . 0.0 111.819 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 1.7 t -112.21 145.4 39.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.936 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.483 ' N ' ' HG2' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -43.67 118.38 1.38 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.498 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.748 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.7 p -115.99 27.67 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.941 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.75 49.09 1.29 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 45.4 t -155.04 146.07 22.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.741 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.632 ' HA ' ' HB3' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -66.27 -28.06 68.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.18 -24.67 34.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.288 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.748 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -62.1 -55.3 30.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.013 -179.82 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.71 -29.3 69.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.054 0.454 . . . . 0.0 110.108 179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.6 -35.31 79.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.344 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -72.55 -27.76 62.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.792 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.02 -26.98 61.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.735 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.14 -43.23 34.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 82' ' ' ARG . 1.6 ttp180 -65.3 -38.23 89.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.718 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.0 mp -78.81 -20.96 48.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.71 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.409 ' HE1' ' N ' ' A' ' 91' ' ' GLU . 60.4 t80 -70.15 -29.62 66.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.015 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -52.78 -48.87 66.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.543 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.1 mt -119.7 90.23 3.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.974 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.543 HD22 ' N ' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -159.46 133.34 7.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 -179.143 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.543 ' N ' HD22 ' A' ' 87' ' ' ASN . 14.1 tttp -58.74 -18.06 28.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -95.21 87.66 4.93 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.419 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.03 52.16 1.91 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.84 0.352 . . . . 0.0 110.884 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 18' ' ' ARG . 3.2 tt0 -169.23 114.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.979 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -72.31 131.28 42.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.511 179.698 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.472 ' C ' HG13 ' A' ' 94' ' ' ILE . 43.8 mt -126.7 145.94 50.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.997 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.761 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 14.2 mt -145.59 160.89 12.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.463 ' N ' HG22 ' A' ' 94' ' ' ILE . 3.7 m-70 -122.58 107.23 11.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.608 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.742 HG23 ' HB1' ' A' ' 21' ' ' ALA . 57.5 t -78.01 126.43 38.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.864 0.364 . . . . 0.0 110.924 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 58' ' ' THR . 57.5 m-85 -121.18 122.2 28.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.06 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.78 113.62 3.71 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.557 2.171 . . . . 0.0 112.377 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.51 ' H ' ' HA ' ' A' ' 57' ' ' PHE . 14.2 t . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.768 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -69.33 -166.91 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.484 2.123 . . . . 0.0 112.225 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.1 mt -105.91 96.73 6.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.822 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -88.28 59.85 4.1 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.703 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.5 t -165.13 -50.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.821 0.343 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -149.53 103.9 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.768 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -72.1 133.09 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -74.52 112.96 11.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 92' ' ' LEU . 57.8 t -121.76 143.93 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.194 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.874 ' HD2' HG13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -128.22 118.73 23.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.641 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.73 157.52 25.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -141.93 81.82 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.479 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.663 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 1.5 t80 -83.13 79.61 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.601 -179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 24' ' ' ARG . 3.4 ttt180 58.73 25.33 13.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.784 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.86 16.99 4.31 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.556 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -107.72 97.25 7.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.596 HG22 ' HG2' ' A' ' 20' ' ' LYS . 1.2 mt -84.1 92.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.7 mtt -104.02 122.82 46.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.013 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.874 HG13 ' HD2' ' A' ' 20' ' ' LYS . 2.8 mp -78.76 122.01 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.015 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.0 t -146.94 135.95 22.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.672 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -116.58 130.27 56.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.349 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -122.19 179.05 4.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.74 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.13 147.03 93.29 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.753 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.37 -7.32 18.72 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.463 2.109 . . . . 0.0 112.283 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.4 m -117.64 31.81 6.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.77 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.468 HG13 ' N ' ' A' ' 37' ' ' SER . 0.6 OUTLIER -77.62 150.0 5.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.154 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -116.74 164.17 15.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.05 -22.83 67.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -71.6 -37.45 70.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.211 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -84.39 -25.09 44.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.885 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -12.1 60.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.319 . . . . 0.0 111.076 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t -76.7 -42.03 43.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.579 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -79.88 -27.03 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.537 179.712 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -72.47 -45.14 60.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 48' ' ' MET . 48.3 t -66.18 -41.42 89.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.966 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.63 ' HB2' ' HB2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -70.32 -21.37 62.92 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.778 179.866 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -80.09 -31.63 39.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.824 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.501 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.4 OUTLIER -92.21 -12.1 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.213 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 14.9 t -116.16 -7.0 11.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.242 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 57.47 90.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.63 ' HB2' ' HB2' ' A' ' 46' ' ' ARG . 5.3 m-85 -114.76 -168.46 1.38 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.656 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.482 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.2 OUTLIER -104.89 10.56 34.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.789 179.827 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.482 HD22 ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 55.94 27.29 10.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.874 179.338 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -163.0 0.13 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 55' ' ' GLN . 0.0 OUTLIER -73.76 167.16 21.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.036 -179.528 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -104.27 143.83 32.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.103 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.418 ' HA ' ' HB2' ' A' ' 99' ' ' CYS . 13.2 p90 -176.03 149.99 0.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.602 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 2.2 m -132.86 116.1 16.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.006 0.432 . . . . 0.0 111.467 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.498 ' HG2' HG13 ' A' ' 96' ' ' VAL . 20.1 mtm -101.88 149.73 23.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.711 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.556 ' HB3' ' N ' ' A' ' 70' ' ' THR . 0.0 OUTLIER -135.03 114.16 12.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.507 -179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.691 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 31.7 p-90 -61.5 124.23 20.06 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 121.401 0.62 . . . . 0.0 111.746 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.529 HG23 ' HA2' ' A' ' 66' ' ' GLY . 1.9 mp -68.15 136.62 26.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.267 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -75.97 -155.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.676 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.96 -30.33 24.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.249 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -99.42 15.65 25.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.238 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.529 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 79.16 61.66 2.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.136 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 11.6 m-20 -130.54 88.21 47.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 120.57 0.224 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.556 ' HB3' ' HB2' ' A' ' 95' ' ' HIS . 35.1 Cg_exo -57.97 98.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.611 2.207 . . . . 0.0 111.738 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.532 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 17.5 m -100.11 130.14 46.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.556 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -44.91 118.64 1.7 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.613 -179.45 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.814 HG21 HD12 ' A' ' 77' ' ' LEU . 9.4 p -97.18 32.79 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.221 0.534 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.04 49.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.816 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.84 142.06 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.665 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -65.68 -30.68 71.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.063 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.14 -20.0 42.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.02 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.4 OUTLIER -64.84 -55.13 21.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.983 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.814 HD12 HG21 ' A' ' 71' ' ' VAL . 0.2 OUTLIER -65.04 -31.43 72.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.407 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -36.23 82.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.33 179.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 76' ' ' GLU . 1.7 pt-20 -71.06 -27.62 63.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.121 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.03 -47.39 80.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.69 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -63.77 -37.06 85.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.671 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 82' ' ' ARG . 11.1 ttt-85 -66.64 -27.33 67.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.695 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.466 ' HA ' ' HB2' ' A' ' 86' ' ' LEU . 0.5 OUTLIER -80.39 -23.7 40.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.804 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.437 ' HE1' ' N ' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -53.87 -61.81 2.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.133 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.51 -19.31 62.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -64.54 -23.27 67.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.788 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -134.91 18.35 3.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.43 83.99 0.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.03 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.409 ' HA ' ' CD2' ' A' ' 84' ' ' TYR . 0.2 OUTLIER 57.18 84.28 0.1 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.06 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -94.18 3.7 54.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.98 109.39 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.309 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.501 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -77.17 93.88 4.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.746 179.799 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.496 ' C ' HG13 ' A' ' 94' ' ' ILE . 1.4 mp -100.58 151.86 21.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.691 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 8.7 mt -146.2 151.76 14.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.761 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.3 OUTLIER -111.1 107.2 16.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.578 179.645 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.663 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 13.1 t -82.71 121.96 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 0.0 111.1 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.602 ' HB2' ' O ' ' A' ' 58' ' ' THR . 76.4 m-85 -117.04 136.18 23.25 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.108 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.435 ' HB3' ' OH ' ' A' ' 23' ' ' TYR . 87.6 Cg_endo -80.55 156.68 21.76 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.569 2.18 . . . . 0.0 112.084 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 3.6 m . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 CA-C-O 120.206 -0.219 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.549 ' HG2' HD23 ' A' ' 13' ' ' LEU . 56.4 Cg_endo -70.98 -34.61 10.27 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.549 2.166 . . . . 0.0 112.505 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.549 HD23 ' HG2' ' A' ' 12' ' ' PRO . 2.3 pt? -138.0 168.26 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.994 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.3 -149.29 2.15 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.586 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.579 ' O ' ' HB3' ' A' ' 31' ' ' HIS . 4.2 p -143.61 -105.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.505 0.193 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.609 ' HG3' ' HA ' ' A' ' 33' ' ' GLU . 87.9 mm-40 53.83 -96.42 0.06 Allowed 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.687 0.279 . . . . 0.0 110.864 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 p -111.45 123.86 67.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.849 0.357 . . . . 0.0 110.843 179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -73.16 123.06 22.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.777 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 92' ' ' LEU . 66.2 t -128.24 142.45 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.082 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -129.07 115.48 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.773 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -80.6 156.19 26.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 94' ' ' ILE . 2.3 m-85 -130.52 78.26 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.75 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.6 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 31.5 t80 -83.42 102.38 12.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.46 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.555 ' HD3' ' HG3' ' A' ' 98' ' ' PRO . 48.2 mtm180 60.42 25.81 15.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.974 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.59 35.16 6.29 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.593 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.53 114.02 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.33 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.52 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.2 OUTLIER -80.83 128.17 38.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.083 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 mtm -130.46 130.02 43.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.999 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mm -77.75 109.85 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 t -140.25 126.65 20.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.579 ' HB3' ' O ' ' A' ' 15' ' ' SER . 2.3 m-70 -114.36 151.91 32.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.961 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -130.42 -125.2 0.21 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.991 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.609 ' HA ' ' HG3' ' A' ' 16' ' ' GLN . 1.1 pt-20 -146.92 160.12 41.32 Favored Pre-proline 0 CA--C 1.53 0.193 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.796 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 33' ' ' GLU . 72.6 Cg_endo -77.36 31.64 0.43 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.566 2.177 . . . . 0.0 112.617 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.2 33.53 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.833 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.541 ' HB ' ' HG2' ' A' ' 33' ' ' GLU . 2.8 tp -98.67 144.0 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.468 ' N ' HG13 ' A' ' 36' ' ' ILE . 96.7 p -104.82 176.48 5.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.796 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -71.38 -26.35 62.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.824 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.8 -46.4 90.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.0 -24.07 58.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.654 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -10.37 59.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.797 0.332 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -40.93 27.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.546 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -78.41 -25.54 46.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.632 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.05 -39.56 60.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.523 HG21 ' SD ' ' A' ' 59' ' ' MET . 42.5 t -70.6 -37.97 71.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.036 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.33 -20.54 57.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -81.06 -29.83 34.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.515 ' HE3' ' HA ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -91.14 -31.71 16.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.993 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 t -84.84 -5.84 59.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.7 t 57.16 90.04 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.979 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -121.16 -171.01 2.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.58 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.464 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -89.71 14.26 12.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.464 HD22 ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 54.41 27.37 8.1 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.156 179.34 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -165.58 4.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.09 170.4 16.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.232 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.49 138.4 50.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.684 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -167.77 150.77 5.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.888 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -129.0 119.18 23.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.538 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.523 ' SD ' HG21 ' A' ' 45' ' ' VAL . 12.2 mtm -91.6 168.3 11.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.916 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.504 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -147.6 102.99 3.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.78 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.795 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 17.4 p-90 -56.04 120.17 7.04 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.387 0.613 . . . . 0.0 111.632 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.5 HD12 ' HB3' ' A' ' 93' ' ' LEU . 5.1 mt -70.1 141.14 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.477 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -81.61 -164.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.82 -20.61 45.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.989 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -110.84 17.89 20.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.037 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.498 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 78.85 60.21 2.64 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.315 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.477 ' H ' ' H ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -131.17 86.09 52.2 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 120.618 0.247 . . . . 0.0 111.58 -179.678 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 24.3 Cg_exo -63.74 117.76 4.73 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.615 2.21 . . . . 0.0 111.56 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 60' ' ' LYS . 71.2 m -118.12 143.72 46.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.021 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.466 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 6.5 p -49.09 107.55 0.14 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.601 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.578 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.9 p -98.5 25.55 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.716 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 74.6 m -80.82 59.36 3.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.933 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.34 144.25 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.796 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -29.22 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -28.94 37.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.578 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 0.7 OUTLIER -61.26 -51.48 68.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.698 179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.448 HD12 ' CG2' ' A' ' 71' ' ' VAL . 0.1 OUTLIER -67.82 -27.61 66.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.151 179.488 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.17 -35.04 79.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.166 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -73.97 -30.01 62.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.761 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.01 95.99 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.694 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.404 ' CE2' HD23 ' A' ' 77' ' ' LEU . 21.8 m-85 -70.11 -36.17 74.65 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.505 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -27.93 69.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.274 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.64 -32.88 47.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.432 179.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -66.58 -15.88 63.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.852 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.55 -35.53 70.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.624 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.24 -3.03 29.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.519 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.3 m120 57.69 74.13 0.44 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.25 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.25 13.87 28.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.499 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -154.4 -25.11 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.566 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.17 6.2 2.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.431 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -177.23 132.03 0.17 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.93 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.498 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -75.3 120.66 21.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.572 179.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.5 ' HB3' HD12 ' A' ' 62' ' ' ILE . 88.6 mt -112.03 146.57 37.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.972 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.795 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 15.6 mt -146.93 158.57 9.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.639 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.485 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.3 OUTLIER -118.66 106.7 12.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.713 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 42.9 t -78.72 121.9 32.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.914 0.387 . . . . 0.0 110.961 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.537 ' HB2' ' O ' ' A' ' 58' ' ' THR . 55.6 m-85 -117.87 130.65 24.57 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.555 ' HG3' ' HD3' ' A' ' 24' ' ' ARG . 79.5 Cg_endo -78.43 130.92 10.25 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.568 2.179 . . . . 0.0 112.243 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 16.9 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.047 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.499 ' O ' HD12 ' A' ' 13' ' ' LEU . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -61.35 -32.48 89.53 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.674 2.25 . . . . 0.0 112.213 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 11' ' ' GLY . 0.3 OUTLIER 60.24 -177.52 0.1 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -170.73 45.22 0.2 Allowed Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.318 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.1 m -164.63 -40.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.0 110.671 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.467 ' HB2' ' HB3' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -142.75 158.2 43.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.718 179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.468 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.2 OUTLIER -103.53 131.7 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.063 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.471 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 4.1 mtm180 -76.98 77.34 3.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.0 0.429 . . . . 0.0 109.938 179.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.506 HG13 ' O ' ' A' ' 92' ' ' LEU . 85.7 t -92.98 135.92 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.541 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.518 ' HB3' HG22 ' A' ' 27' ' ' ILE . 14.7 mttm -127.7 113.88 16.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.48 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.54 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -82.49 158.28 23.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.307 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -129.98 73.78 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.49 179.79 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.514 ' HB2' ' HB ' ' A' ' 96' ' ' VAL . 25.8 t80 -83.8 115.73 22.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.846 -179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 55.93 24.65 7.82 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.86 46.2 5.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.354 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 3.6 t0 -140.47 122.78 15.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.749 0.309 . . . . 0.0 110.879 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.518 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -83.43 121.54 36.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.093 -179.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -117.72 128.18 54.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.0 mm -78.28 118.66 25.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.175 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.95 119.27 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 18' ' ' ARG . 3.4 m-70 -120.71 130.04 53.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.461 ' CE1' HG21 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -135.18 161.43 35.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.7 149.66 40.63 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -68.96 -23.94 33.92 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.555 2.17 . . . . 0.0 112.391 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.9 57.86 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 tt -133.44 146.51 31.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.76 168.1 10.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -62.39 -30.26 71.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -43.82 78.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.711 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.17 -24.34 76.58 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.426 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -10.42 57.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.68 -45.16 25.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.577 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -74.77 -25.2 58.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.647 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.02 -57.22 4.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.782 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.462 HG13 ' HE3' ' A' ' 48' ' ' MET . 95.0 t -59.69 -30.46 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.884 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.644 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.8 OUTLIER -79.49 -26.81 41.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.919 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -74.17 -29.62 61.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.053 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.462 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -89.98 -36.7 14.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.025 -179.823 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.5 OUTLIER -84.9 -15.9 42.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.01 -179.856 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 58.38 94.59 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.644 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 44.1 m-85 -115.72 -172.84 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.519 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.441 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -88.71 17.77 5.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.654 179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.469 ' N ' HD22 ' A' ' 53' ' ' ASN . 0.9 OUTLIER 56.97 22.81 7.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.909 179.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -160.71 -0.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.828 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.1 146.96 50.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.78 140.74 33.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.009 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -169.31 134.07 1.46 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.678 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 3.9 m -111.17 119.05 37.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.464 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 96' ' ' VAL . 17.9 mtm -96.84 160.69 14.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.817 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.502 ' HB3' ' N ' ' A' ' 70' ' ' THR . 0.0 OUTLIER -139.0 111.38 7.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.676 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.684 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 15.5 p-90 -60.01 121.64 12.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.321 0.581 . . . . 0.0 111.775 -179.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.458 ' CG2' ' HA2' ' A' ' 66' ' ' GLY . 5.4 mt -69.86 135.1 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.85 -167.86 1.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -78.13 -19.19 54.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.079 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -107.49 15.4 24.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.845 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.458 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 76.94 60.48 2.91 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.032 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.59 87.63 49.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 N-CA-C 111.536 0.198 . . . . 0.0 111.536 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.49 ' C ' ' HB2' ' A' ' 60' ' ' LYS . 37.3 Cg_exo -60.82 95.3 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.414 2.076 . . . . 0.0 111.817 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.45 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 40.1 t -88.96 124.97 34.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.965 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.502 ' N ' ' HB3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -47.79 113.74 0.77 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.549 -179.673 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.674 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.6 p -111.7 122.0 65.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.65 42.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.93 152.3 32.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 0.0 OUTLIER -63.26 -29.57 70.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.69 -31.55 32.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.799 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.674 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -57.67 -56.24 24.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.628 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.42 HD12 HG21 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -65.68 -31.93 73.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.866 179.435 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 74' ' ' GLN . 1.2 tp10 -61.06 -37.19 81.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.027 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -72.16 -28.31 63.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.729 179.302 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -69.32 -27.99 65.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.396 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -80.68 -41.62 23.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.408 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 82' ' ' ARG . 3.5 ttm180 -61.97 -41.43 98.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.624 179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 87' ' ' ASN . 4.6 tp -76.9 -26.51 54.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.509 179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.41 ' HE1' ' HA ' ' A' ' 90' ' ' SER . 18.0 t80 -59.34 -40.96 88.04 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.914 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -59.07 -55.04 40.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.929 0.395 . . . . 0.0 110.289 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.1 tp -99.18 82.69 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.961 179.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' ' 83' ' ' LEU . 13.4 t-20 -156.32 133.67 10.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -56.03 -22.24 26.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.597 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -84.67 -162.69 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.244 179.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.41 ' HA ' ' HE1' ' A' ' 84' ' ' TYR . 5.9 p -173.07 41.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.705 179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -165.57 139.59 4.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.985 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.506 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.0 OUTLIER -90.61 105.17 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.835 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.497 ' C ' HG13 ' A' ' 94' ' ' ILE . 82.3 mt -95.12 146.56 24.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.785 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.684 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 9.8 mt -146.68 157.35 10.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.484 ' HB2' ' HB3' ' A' ' 68' ' ' PRO . 0.2 OUTLIER -118.92 106.91 12.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.422 179.633 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.54 HG23 ' HB1' ' A' ' 21' ' ' ALA . 43.4 t -78.4 126.06 38.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.874 0.369 . . . . 0.0 111.151 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.54 ' HB2' ' O ' ' A' ' 58' ' ' THR . 56.9 m-85 -122.01 119.63 28.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.231 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.19 154.31 66.14 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.43 2.087 . . . . 0.0 112.041 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.889 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.152 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.7 -16.31 33.61 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.58 2.187 . . . . 0.0 112.371 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 55.29 39.1 31.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.077 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.3 142.92 15.63 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 m 59.94 14.74 4.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.719 0.295 . . . . 0.0 111.279 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.519 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.8 OUTLIER -153.4 89.5 1.35 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.134 179.833 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.4 p -75.01 132.2 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.979 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' HE ' ' HB2' ' A' ' 18' ' ' ARG . 6.9 ttm180 -77.39 110.23 11.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.756 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 92' ' ' LEU . 46.0 t -121.36 133.06 69.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.481 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HG2' HG22 ' A' ' 27' ' ' ILE . 0.5 OUTLIER -128.28 112.65 14.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 179.68 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB1' HG23 ' A' ' 96' ' ' VAL . . . -82.07 159.88 23.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.388 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.566 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 14.0 m-85 -130.65 81.2 1.99 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.657 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.606 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 14.1 t80 -83.81 100.41 10.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.756 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.52 ' HD2' ' HG3' ' A' ' 98' ' ' PRO . 0.3 OUTLIER 55.21 31.49 16.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.077 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.16 50.54 2.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.606 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -145.64 109.53 4.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.761 0.315 . . . . 0.0 110.686 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.496 HG22 ' HG2' ' A' ' 20' ' ' LYS . 0.3 OUTLIER -77.58 115.42 19.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.321 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.0 mtt -109.6 123.45 49.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -78.57 112.55 16.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.279 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 t -149.23 128.69 13.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -113.93 154.71 27.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.044 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.519 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 37.2 m-85 -138.98 -172.05 3.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.764 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -106.09 149.83 38.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.679 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.71 -4.97 6.48 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.622 2.214 . . . . 0.0 112.52 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.86 56.38 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 37' ' ' SER . 3.2 tp -123.24 143.98 34.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.463 ' N ' HG13 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -94.53 161.05 14.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.741 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -70.82 -30.45 66.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -58.53 -42.12 87.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.005 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -77.4 -15.16 81.75 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.491 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -9.7 52.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.771 0.319 . . . . 0.0 111.001 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 42.0 t -77.04 -47.55 20.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -74.61 -25.57 59.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.726 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.61 -53.95 16.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.474 HG13 ' HE2' ' A' ' 48' ' ' MET . 85.4 t -64.33 -34.33 68.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.631 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.483 ' HG3' ' HB2' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -72.41 -24.45 61.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.775 179.788 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -78.64 -34.31 46.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.474 ' HE2' HG13 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.7 -24.68 26.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 75.9 m -97.92 -15.91 19.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m 59.78 100.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.185 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.483 ' HB2' ' HG3' ' A' ' 46' ' ' ARG . 28.6 m-85 -129.9 -165.19 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 53' ' ' ASN . 8.2 t70 -101.26 14.37 32.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.808 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.459 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.2 m-80 61.79 8.87 2.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.44 179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -138.23 -1.74 1.9 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.521 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 146.8 52.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.898 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.44 143.47 28.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.684 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -171.85 150.44 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.971 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.565 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.2 OUTLIER -129.13 115.96 18.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.493 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 0.0 OUTLIER -89.05 160.37 17.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.673 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 13.5 mttt -138.9 102.91 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.786 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.692 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 9.2 p-90 -63.37 126.85 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.252 0.549 . . . . 0.0 111.512 -179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.616 HG13 ' HG3' ' A' ' 68' ' ' PRO . 0.1 OUTLIER -68.11 140.54 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.737 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.627 ' H ' ' H ' ' A' ' 67' ' ' ASP . 0.9 OUTLIER -75.44 -149.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.002 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.09 -35.85 36.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.01 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.22 13.82 33.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.118 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.563 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 86.64 61.22 1.63 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.699 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.627 ' H ' ' H ' ' A' ' 63' ' ' ASP . 2.7 m-20 -124.07 89.69 51.49 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 120.7 0.286 . . . . 0.0 110.893 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.616 ' HG3' HG13 ' A' ' 62' ' ' ILE . 36.5 Cg_exo -57.97 115.37 2.48 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.705 2.27 . . . . 0.0 111.814 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.3 t -117.75 139.15 51.45 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.013 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.473 ' OG1' ' HE2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -56.74 109.22 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.373 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.527 HG23 ' HB3' ' A' ' 76' ' ' GLU . 2.3 p -105.73 104.84 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.795 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.2 p -132.06 38.43 3.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 49.0 m -146.38 144.25 29.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.807 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -63.4 -28.05 69.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.689 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.426 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 2.9 tt -82.26 -28.81 31.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.527 ' HB3' HG23 ' A' ' 71' ' ' VAL . 4.1 mm-40 -60.8 -48.22 82.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.506 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.18 -32.62 72.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.225 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -38.8 92.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.296 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -71.02 -28.05 64.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.058 179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 84' ' ' TYR . . . -64.72 -36.97 86.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.539 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -69.82 -43.11 72.69 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.626 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -63.11 -35.54 80.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.813 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 87' ' ' ASN . 1.5 tp -82.14 -23.55 35.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.508 ' HB3' ' O ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -81.86 -26.61 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.683 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -46.23 80.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.28 65.4 0.62 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.472 ' HB2' ' O ' ' A' ' 83' ' ' LEU . 1.6 t-20 -136.17 -152.62 0.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.77 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.16 -34.27 3.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.753 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.504 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 1.9 m-20 -62.34 -41.41 98.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.686 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.3 m 58.82 36.1 24.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 89' ' ' ASP . 10.0 pt-20 -166.8 132.06 2.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -76.94 113.3 14.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.736 179.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.482 ' C ' HG13 ' A' ' 94' ' ' ILE . 65.4 mt -108.87 145.64 35.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.973 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.692 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 12.4 mt -146.95 158.15 10.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.477 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.566 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 4.0 m-70 -118.69 106.9 13.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.74 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 67.8 t -77.06 124.34 35.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.985 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.565 ' HB2' ' O ' ' A' ' 58' ' ' THR . 64.7 m-85 -117.92 124.63 28.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.159 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.52 ' HG3' ' HD2' ' A' ' 24' ' ' ARG . 38.3 Cg_endo -65.7 146.35 83.72 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.517 2.145 . . . . 0.0 112.223 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.205 -0.902 . . . . 0.0 111.418 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.154 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -62.2 167.38 11.02 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.568 2.179 . . . . 0.0 112.268 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 17' ' ' VAL . 1.9 mt 54.82 -159.41 0.18 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.023 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 156.1 -23.4 0.53 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.228 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 p -150.4 17.44 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.699 0.285 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' HA ' ' O ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -169.33 90.1 0.21 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.007 0.432 . . . . 0.0 111.187 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.521 HG13 HG23 ' A' ' 19' ' ' VAL . 11.0 p -73.11 141.65 16.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.938 179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -76.52 107.18 8.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.666 HG22 ' HB3' ' A' ' 92' ' ' LEU . 91.8 t -125.44 140.68 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.817 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 93' ' ' LEU . 6.0 mtpt -130.23 120.27 24.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.819 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.526 ' O ' ' HA ' ' A' ' 27' ' ' ILE . . . -82.11 164.49 21.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.28 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 26' ' ' ASP . 0.7 OUTLIER -139.52 76.8 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.632 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.586 ' O ' ' HG2' ' A' ' 24' ' ' ARG . 25.3 t80 -83.74 114.28 21.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' ' 23' ' ' TYR . 2.9 ptt85 53.8 12.82 0.45 Allowed 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.709 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.89 41.96 1.75 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.642 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.424 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 0.3 OUTLIER -136.74 122.47 19.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.782 0.325 . . . . 0.0 110.798 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -82.23 127.69 39.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.446 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 1.7 mpp? -122.0 131.21 53.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.759 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 13.7 mm -83.24 112.13 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.094 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.8 t -147.23 132.76 18.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.105 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -118.16 134.5 54.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 16' ' ' GLN . 31.3 m-85 -118.54 172.25 7.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.73 155.5 75.71 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.692 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -62.59 -12.25 27.32 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.516 2.144 . . . . 0.0 112.383 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.6 p -123.68 70.92 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.668 HG12 HD12 ' A' ' 41' ' ' LEU . 0.8 OUTLIER -124.92 147.35 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.68 163.55 13.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -63.63 -25.06 68.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -62.83 -58.47 7.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.78 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.13 -27.75 73.5 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.419 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.668 HD12 HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -66.2 -15.35 63.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.754 0.312 . . . . 0.0 110.765 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.25 -54.79 9.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.556 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.435 ' HB3' ' NH2' ' A' ' 46' ' ' ARG . 35.0 m-80 -66.01 -23.97 66.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.496 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.16 -57.04 5.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.48 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.527 ' O ' ' HB2' ' A' ' 49' ' ' CYS . 89.9 t -62.33 -28.0 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.615 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.435 ' NH2' ' HB3' ' A' ' 43' ' ' ASN . 3.2 ttp180 -71.73 -34.53 69.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.837 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -32.73 67.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -85.91 -20.17 29.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.154 -179.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -97.87 -9.98 25.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.955 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.7 t 56.76 86.05 0.07 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -119.55 -174.44 2.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.662 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.479 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.6 OUTLIER -89.69 12.58 16.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.696 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.479 HD22 ' C ' ' A' ' 52' ' ' ASP . 1.1 m-80 61.84 9.65 3.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.255 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 52' ' ' ASP . 3.3 mt-10 -139.24 -7.69 1.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.71 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.11 153.55 33.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.589 ' HB3' ' HB3' ' A' ' 99' ' ' CYS . 0.2 OUTLIER -103.92 140.77 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.415 ' HA ' ' H ' ' A' ' 99' ' ' CYS . 7.3 p90 -168.29 144.71 3.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.522 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 0.0 OUTLIER -122.9 118.02 26.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.737 -179.623 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.51 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 39.8 mtm -89.2 167.99 12.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.719 179.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.497 ' HB3' ' C ' ' A' ' 68' ' ' PRO . 2.8 mttm -148.62 102.81 3.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.729 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.704 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 21.6 p-90 -54.32 117.5 3.34 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.455 0.645 . . . . 0.0 111.405 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.718 HD12 ' HB3' ' A' ' 93' ' ' LEU . 10.3 mt -71.32 134.56 29.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.302 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.15 -162.52 0.18 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.75 -39.84 50.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.252 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -92.12 13.81 17.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.252 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.517 ' HA2' ' CG2' ' A' ' 62' ' ' ILE . . . 82.85 63.82 1.72 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.308 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -130.82 81.77 66.31 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 120.564 0.221 . . . . 0.0 111.488 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.706 ' HG3' HG12 ' A' ' 62' ' ' ILE . 38.2 Cg_exo -59.87 115.75 2.83 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.549 2.166 . . . . 0.0 111.745 179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 65.9 m -117.26 143.24 46.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.044 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 m -53.55 121.27 7.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.374 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.828 HG21 HD12 ' A' ' 77' ' ' LEU . 11.0 p -105.59 41.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.412 0.625 . . . . 0.0 111.096 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.0 p -81.34 30.52 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.897 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -145.6 138.01 25.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.676 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -62.3 -32.22 72.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.164 -179.758 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.46 ' N ' ' HG3' ' A' ' 74' ' ' GLN . 0.6 OUTLIER -72.17 -28.92 63.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.952 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.529 ' HB3' HG23 ' A' ' 71' ' ' VAL . 0.1 OUTLIER -63.51 -45.89 88.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.002 0.429 . . . . 0.0 110.4 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.828 HD12 HG21 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -69.08 -28.22 66.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.036 179.418 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.38 -38.42 74.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.417 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.498 ' HG3' ' N ' ' A' ' 80' ' ' ALA . 0.0 OUTLIER -69.6 -27.46 65.11 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.195 0.522 . . . . 0.0 109.975 179.45 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.498 ' N ' ' HG3' ' A' ' 79' ' ' GLU . . . -68.63 -46.15 69.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.887 179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -58.79 -41.68 87.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.617 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 82' ' ' ARG . 1.5 mtm-85 -65.81 -29.19 69.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.632 179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.91 -34.14 77.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -53.38 -49.65 66.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.992 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -94.93 38.56 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 82' ' ' ARG . 0.9 OUTLIER -157.23 25.46 0.3 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.01 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -166.34 32.95 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 mttt 56.11 79.36 0.17 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.998 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 49.92 72.82 0.29 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.39 87.92 7.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.775 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -49.36 122.9 6.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.949 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.666 ' HB3' HG22 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -71.7 99.8 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.324 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.718 ' HB3' HD12 ' A' ' 62' ' ' ILE . 74.0 mt -104.85 154.56 19.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.704 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 7.7 mt -147.24 156.94 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.406 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.2 OUTLIER -118.93 106.68 12.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.613 179.762 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 21.7 t -78.61 123.47 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 58' ' ' THR . 53.1 m-85 -119.45 129.59 25.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 -179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.93 114.64 3.97 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.66 2.24 . . . . 0.0 112.342 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.589 ' HB3' ' HB3' ' A' ' 56' ' ' LEU . 3.4 t . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 CA-C-O 120.202 -0.221 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -59.91 -39.98 66.67 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.667 2.244 . . . . 0.0 112.382 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 tt 56.08 84.23 0.09 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.967 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.55 -63.27 4.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.452 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.2 m -146.94 20.39 1.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.855 0.359 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -64.19 111.73 2.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.938 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 p -72.22 129.01 35.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.187 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -74.78 117.78 17.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.745 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 92' ' ' LEU . 40.0 t -124.95 141.36 45.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.548 ' HB3' HG22 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -127.63 119.98 27.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.739 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 28' ' ' MET . . . -81.89 142.82 32.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.599 ' HB2' ' HA ' ' A' ' 95' ' ' HIS . 6.0 m-85 -121.51 75.67 1.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.312 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' HA ' ' O ' ' A' ' 96' ' ' VAL . 1.1 t80 -83.35 113.69 20.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.364 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.16 21.04 4.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.249 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.83 44.13 3.98 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.575 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -139.58 122.17 16.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 0.0 110.575 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.548 HG22 ' HB3' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -73.85 142.52 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.572 ' HB2' ' HB3' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -136.48 135.0 38.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.692 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.4 mm -83.2 110.8 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.0 t -148.54 127.29 12.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.027 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -117.97 149.7 40.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.436 ' HE1' ' HG3' ' A' ' 44' ' ' GLU . 97.6 m-85 -135.07 164.63 27.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.842 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -90.31 151.79 44.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.672 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.05 -25.63 13.03 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.637 2.225 . . . . 0.0 112.627 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.23 57.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.01 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 37' ' ' SER . 5.2 tp -117.13 147.95 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.037 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.666 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -107.65 160.7 15.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -66.48 -33.32 75.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.666 ' HG2' ' HB2' ' A' ' 37' ' ' SER . 1.2 pt-20 -56.46 -51.33 68.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -71.54 -20.63 78.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.366 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.88 -16.99 62.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.84 0.352 . . . . 0.0 110.711 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 t -81.18 -44.02 18.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.666 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 47' ' ' ASP . 72.8 m-20 -69.12 -27.08 65.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.333 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.436 ' HG3' ' HE1' ' A' ' 32' ' ' PHE . 13.2 mm-40 -75.47 -38.63 59.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.611 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.678 HG13 ' HE3' ' A' ' 48' ' ' MET . 27.9 t -71.04 -40.85 76.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' HA ' ' HD2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -72.9 -22.47 60.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.91 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 43' ' ' ASN . 26.8 t70 -76.49 -41.49 46.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.678 ' HE3' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -79.08 -29.58 43.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.002 -179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.5 t -86.67 -6.18 58.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.98 88.58 0.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.467 ' HD2' ' HA ' ' A' ' 46' ' ' ARG . 6.3 m-85 -119.35 -168.77 1.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.678 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' C ' HD22 ' A' ' 53' ' ' ASN . 0.4 OUTLIER -85.63 14.89 5.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.423 . . . . 0.0 110.841 179.73 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.459 HD22 ' C ' ' A' ' 52' ' ' ASP . 0.8 OUTLIER 54.95 21.42 3.69 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.18 179.363 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.41 ' H ' ' H ' ' A' ' 55' ' ' GLN . 7.0 tt0 -163.51 0.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.812 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.41 ' H ' ' H ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -65.77 159.82 24.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 -179.543 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.5 140.35 38.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.808 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.629 ' HB3' ' HA ' ' A' ' 98' ' ' PRO . 9.4 p90 -169.1 137.45 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 97' ' ' PHE . 18.8 m -113.8 122.95 48.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.355 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.522 ' CE ' HG21 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -97.43 165.14 12.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.615 179.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.512 ' HB2' ' C ' ' A' ' 68' ' ' PRO . 0.0 OUTLIER -142.6 110.08 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.589 179.83 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.718 ' HA ' ' HA ' ' A' ' 94' ' ' ILE . 14.8 p-90 -59.32 124.05 18.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.317 0.579 . . . . 0.0 111.708 -178.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.568 HG23 ' HA2' ' A' ' 66' ' ' GLY . 12.8 mt -68.01 131.72 33.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.663 ' HB2' ' HB2' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -70.55 -160.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.411 ' HG2' HD21 ' A' ' 87' ' ' ASN . 1.2 mt-10 -84.78 -15.98 43.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.982 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -115.7 19.04 15.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.183 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.568 ' HA2' HG23 ' A' ' 62' ' ' ILE . . . 77.41 59.57 3.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.308 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.663 ' HB2' ' HB2' ' A' ' 63' ' ' ASP . 7.3 m-20 -130.44 82.2 65.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.573 0.225 . . . . 0.0 111.023 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.536 ' HB3' ' HB2' ' A' ' 95' ' ' HIS . 53.1 Cg_exo -55.46 97.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.508 2.138 . . . . 0.0 111.847 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.432 ' C ' ' HB3' ' A' ' 60' ' ' LYS . 44.6 t -94.89 133.97 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.747 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -42.38 110.12 0.16 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.626 -179.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.622 ' HA ' ' HG2' ' A' ' 76' ' ' GLU . 9.2 p -101.33 29.11 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.991 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.433 ' HB3' HG23 ' A' ' 58' ' ' THR . 88.6 p -82.12 55.86 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.857 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.63 154.69 24.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.806 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -42.49 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.13 -18.0 60.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.622 ' HG2' ' HA ' ' A' ' 71' ' ' VAL . 1.1 tp10 -65.41 -49.94 67.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.688 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tp -69.35 -31.1 69.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.122 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -38.52 90.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.141 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.31 -29.82 65.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.701 179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.52 -30.6 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.863 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.433 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 2.0 m-85 -72.36 -49.81 31.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.738 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -61.08 -40.99 95.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.751 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.7 tp -71.99 -23.99 61.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.655 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.433 ' HB3' ' O ' ' A' ' 81' ' ' PHE . 28.4 t80 -66.58 -26.01 66.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.719 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.54 -45.77 91.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.96 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.94 94.46 4.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.411 HD21 ' HG2' ' A' ' 64' ' ' GLU . 2.5 t30 -171.78 137.42 1.0 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.83 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -22.38 62.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.967 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . 0.473 ' O ' ' HG2' ' A' ' 91' ' ' GLU . 61.0 m-20 -61.16 -49.77 75.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m 56.88 29.7 16.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' A' ' 89' ' ' ASP . 11.2 pt-20 -167.84 135.96 2.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -82.53 117.65 22.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.535 ' C ' HG13 ' A' ' 94' ' ' ILE . 94.6 mt -113.75 141.52 47.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.509 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.718 ' HA ' ' HA ' ' A' ' 61' ' ' TRP . 3.2 mt -142.91 159.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.628 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.599 ' HA ' ' HB2' ' A' ' 22' ' ' TYR . 0.2 OUTLIER -118.42 107.03 13.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.851 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 23' ' ' TYR . 42.1 t -78.0 122.09 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.981 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 58' ' ' THR . 38.8 m-85 -123.63 113.99 28.7 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.629 ' HA ' ' HB3' ' A' ' 57' ' ' PHE . 38.1 Cg_exo -56.97 166.48 3.96 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.376 2.051 . . . . 0.0 112.23 179.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.87 179.939 . . . . . . . . 0 0 . 1 stop_ save_